(4-methylphenyl)methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-methylphenyl)methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: p-tolylmethyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid (4-methylbenzyl) ester Formula: C24H20N2O3S MolecularWeight: 416.4922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H20N2O3S/c1-17-9-11-18(12-10-17)15-29-24(28)21-7-2-3-8-22(21)30-16-23(27)26-20-6-4-5-19(13-20)14-25/h2-13H,15-16H2,1H3,(H,26,27)