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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

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