Methyl 2-{[2-(3-chloroanilino)-2-oxoethyl]thio}-1-methyl-1H-imidazole-5-carboxylate

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Systematic / IUPAC Name: Methyl 2-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-1-methyl-1H-imidazole-5-carboxylate

ID: Reference6381

Other Names: 1H-Imidazole-5-carboxylic acid, 2-({2-[(3-chlorophenyl)amino]-2-oxoethyl}thio)-1-methyl-, methyl ester

Formula: C14H14ClN3O3S

Spectral Data

Methyl 2-{[2-(3-chloroanilino)-2-oxoethyl]thio}-1-methyl-1H-imidazole-5-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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/27/2017 2:52:08 PM
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Identificators

InChI InChI=1S/C14H14ClN3O3S/c1-18-11(13(20)21-2)7-16-14(18)22-8-12(19)17-10-5-3-4-9(15)6-10/h3-7H,8H2,1-2H3,(H,17,19)
InChI Key RSPVODHZJQMJQC-UHFFFAOYSA-N
Canonical SMILES CN1C(=CN=C1SCC(=O)NC2=CC(=CC=C2)Cl)C(=O)OC
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Other Names 1H-Imidazole-5-carboxylic acid, 2-({2-[(3-chlorophenyl)amino]-2-oxoethyl}thio)-1-methyl-, methyl ester

In Other Databases

ChemSpider 2099473
PubChem 2821245