[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)CN2CCCCCC2=O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C17H22N2O4S/c1-24-14-8-5-4-7-13(14)18-15(20)12-23-17(22)11-19-10-6-2-3-9-16(19)21/h4-5,7-8H,2-3,6,9-12H2,1H3,(H,18,20)