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

Systemtic Name: (phenylmethyl) 2-[3-cyano-4-(4-fluorophenyl)-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-4-(4-fluorophenyl)-6-methyl-5-(o-tolylcarbamoyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(4-fluorophenyl)-6-methyl-5-[(2-methylanilino)-oxomethyl]-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-cyano-4-(4-fluorophenyl)-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(4-fluorophenyl)-6-methyl-5-(o-tolylcarbamoyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C30H24FN3O3S MolecularWeight: 525.593263

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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)F)C#N)SCC(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC=C(C=C3)F)C#N)SCC(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C30H24FN3O3S/c1-19-8-6-7-11-25(19)34-29(36)27-20(2)33-30(24(16-32)28(27)22-12-14-23(31)15-13-22)38-18-26(35)37-17-21-9-4-3-5-10-21/h3-15H,17-18H2,1-2H3,(H,34,36)