Ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate

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Systematic / IUPAC Name: Ethyl (3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate

ID: Reference7051

Other Names: 2-(3-Thioxo-4H-1,4-benzothiazin-2-yl)acetic acid ethyl ester;
2H-1,4-Benzothiazine-2-aceticacid, 3,4-dihydro-3-thioxo-, ethyl ester;
Ethyl (3-sulfanylidene-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate;
Ethyl 2-(3-sulfanylidene-2,4-dihydro-1,4-benzothiazin-2-yl)acetate;
Ethyl 2-(3-thioxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetate

Formula: C12H13NO2S2

Spectral Data

Ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 156
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2017 1:06:17 PM
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Identificators

InChI InChI=1S/C12H13NO2S2/c1-2-15-11(14)7-10-12(16)13-8-5-3-4-6-9(8)17-10/h3-6,10H,2,7H2,1H3,(H,13,16)
InChI Key CTXDYDXAQWIFEN-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)CC1C(=S)NC2=CC=CC=C2S1
CAS
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Other Names 2-(3-Thioxo-4H-1,4-benzothiazin-2-yl)acetic acid ethyl ester;
2H-1,4-Benzothiazine-2-aceticacid, 3,4-dihydro-3-thioxo-, ethyl ester;
Ethyl (3-sulfanylidene-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate;
Ethyl 2-(3-sulfanylidene-2,4-dihydro-1,4-benzothiazin-2-yl)acetate;
Ethyl 2-(3-thioxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetate

In Other Databases

ChEMBL CHEMBL1319607
PubChem 2779130
ChemSpider 2059366