[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 2-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 2-(2-ketopyrrolidino)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H19N3O4S/c22-11-13-29-18-9-4-2-7-16(18)23-19(25)14-28-21(27)15-6-1-3-8-17(15)24-12-5-10-20(24)26/h1-4,6-9H,5,10,12-14H2,(H,23,25)