methyl 3-[[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(2-cyanoanilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-(2-cyanoanilino)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-cyanoanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(2-cyanoanilino)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C18H16N2O3S/c1-23-18(22)14-7-4-5-13(9-14)11-24-12-17(21)20-16-8-3-2-6-15(16)10-19/h2-9H,11-12H2,1H3,(H,20,21)