[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(pyridin-3-ylmethoxy)benzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(pyridin-3-ylmethoxy)benzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-(3-pyridylmethoxy)benzoate CAS Name: 4-(3-pyridinylmethoxy)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-(pyridin-3-ylmethoxy)benzoate Traditional Name: 4-(3-pyridylmethoxy)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OCC3=CN=CC=C3)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OCC3=CN=CC=C3)SCC#N

InChI

InChI=1S/C23H19N3O4S/c24-11-13-31-21-6-2-1-5-20(21)26-22(27)16-30-23(28)18-7-9-19(10-8-18)29-15-17-4-3-12-25-14-17/h1-10,12,14H,13,15-16H2,(H,26,27)