[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C20H18N2O4S/c1-15(23)14-27-18-10-6-5-9-17(18)20(25)26-13-19(24)22(12-11-21)16-7-3-2-4-8-16/h2-10H,12-14H2,1H3