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

Systemtic Name: (phenylmethyl) 2-[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-[anilino(oxo)methyl]-3-cyano-6-methyl-4-phenyl-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C29H23N3O3S MolecularWeight: 493.57622

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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)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)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H23N3O3S/c1-20-26(28(34)32-23-15-9-4-10-16-23)27(22-13-7-3-8-14-22)24(17-30)29(31-20)36-19-25(33)35-18-21-11-5-2-6-12-21/h2-16H,18-19H2,1H3,(H,32,34)