methyl 4-[2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C29H23N3O3S MolecularWeight: 493.57622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C29H23N3O3S/c1-19-8-10-20(11-9-19)24-16-26(21-6-4-3-5-7-21)32-28(25(24)17-30)36-18-27(33)31-23-14-12-22(13-15-23)29(34)35-2/h3-16H,18H2,1-2H3,(H,31,33)