[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylbenzoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylbenzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC=CC=C2SC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C18H16N2O3S/c1-12(17(21)20-15-9-5-3-7-13(15)11-19)23-18(22)14-8-4-6-10-16(14)24-2/h3-10,12H,1-2H3,(H,20,21)