[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfinylmethyl)benzoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfinylmethyl)benzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c1-13(18(22)21-17-9-4-3-7-16(17)11-20)25-19(23)15-8-5-6-14(10-15)12-26(2)24/h3-10,13H,12H2,1-2H3,(H,21,22)