(phenylmethyl) 2-[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-[anilino(oxo)methyl]-4-(3-chlorophenyl)-3-cyano-6-methyl-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C29H22ClN3O3S MolecularWeight: 528.02128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)Cl)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)Cl)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H22ClN3O3S/c1-19-26(28(35)33-23-13-6-3-7-14-23)27(21-11-8-12-22(30)15-21)24(16-31)29(32-19)37-18-25(34)36-17-20-9-4-2-5-10-20/h2-15H,17-18H2,1H3,(H,33,35)