[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-21-12-5-3-2-4-10(12)17-13(18)8-20-14(19)11-6-9(15)7-16-11/h2-7,16H,8H2,1H3,(H,17,18)