[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CSC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C18H16N2O3S/c19-11-12-20(15-7-3-1-4-8-15)17(21)13-23-18(22)14-24-16-9-5-2-6-10-16/h1-10H,12-14H2