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

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c25-20(16-28-22(27)15-24-14-8-2-5-13-21(24)26)23-18-11-6-7-12-19(18)29-17-9-3-1-4-10-17/h1,3-4,6-7,9-12H,2,5,8,13-16H2,(H,23,25)