Methyl 3-amino-4-[(4-chlorophenyl)sulfonyl]-5-(methylthio)thiophene-2-carboxylate

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Systematic / IUPAC Name: Methyl 3-amino-4-[(4-chlorophenyl)sulfonyl]-5-(methylsulfanyl)-2-thiophenecarboxylate

ID: Reference3574

Other Names: 2-Thiophenecarboxylicacid, 3-amino-4-[(4-chlorophenyl)sulfonyl]-5-(methylthio)-, methyl ester

Formula: C13H12ClNO4S3

Spectral Data

Methyl 3-amino-4-[(4-chlorophenyl)sulfonyl]-5-(methylthio)thiophene-2-carboxylate 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 Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 1853
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 1/13/2016 1:03:10 PM
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Identificators

InChI InChI=1S/C13H12ClNO4S3/c1-19-12(16)10-9(15)11(13(20-2)21-10)22(17,18)8-5-3-7(14)4-6-8/h3-6H,15H2,1-2H3
InChI Key UFELMQAESMNOAN-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1=C(C(=C(S1)SC)S(=O)(=O)C2=CC=C(C=C2)Cl)N
CAS 845266184
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Other Names 2-Thiophenecarboxylicacid, 3-amino-4-[(4-chlorophenyl)sulfonyl]-5-(methylthio)-, methyl ester

In Other Databases

ChemSpider 2097486
PubChem 2819252