(phenylmethyl) 2-[3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-(4-phenylphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-(4-phenylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(4-phenylphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-methyl-5-[(2-methylanilino)-oxomethyl]-4-(4-phenylphenyl)-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-(4-phenylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(4-phenylphenyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C36H29N3O3S MolecularWeight: 583.69876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC=C(C=C3)C4=CC=CC=C4)C#N)SCC(=O)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC=C(C=C3)C4=CC=CC=C4)C#N)SCC(=O)OCC5=CC=CC=C5)C

InChI

InChI=1S/C36H29N3O3S/c1-24-11-9-10-16-31(24)39-35(41)33-25(2)38-36(43-23-32(40)42-22-26-12-5-3-6-13-26)30(21-37)34(33)29-19-17-28(18-20-29)27-14-7-4-8-15-27/h3-20H,22-23H2,1-2H3,(H,39,41)