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

Systemtic Name: (phenylmethyl) 2-[5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl-4-pyridin-4-yl-pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl-4-(4-pyridyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-[(4-chloroanilino)-oxomethyl]-3-cyano-6-methyl-4-pyridin-4-yl-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl-4-pyridin-4-ylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl-4-(4-pyridyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C28H21ClN4O3S MolecularWeight: 529.00934

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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=NC=C3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H21ClN4O3S/c1-18-25(27(35)33-22-9-7-21(29)8-10-22)26(20-11-13-31-14-12-20)23(15-30)28(32-18)37-17-24(34)36-16-19-5-3-2-4-6-19/h2-14H,16-17H2,1H3,(H,33,35)