methyl 3-[2-[(2-cyanophenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(2-cyanophenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(2-cyanophenyl)methylsulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(2-cyanophenyl)methylthio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2-cyanophenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(2-cyanobenzyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=CC=C2C#N

InChI

InChI=1S/C19H18N2O3S/c1-13-7-8-14(19(23)24-2)9-17(13)21-18(22)12-25-11-16-6-4-3-5-15(16)10-20/h3-9H,11-12H2,1-2H3,(H,21,22)