methyl 2-[[(4R)-5-cyano-2-methyl-3-[(2-methylphenyl)carbamoyl]-4-phenyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[(4R)-5-cyano-2-methyl-3-[(2-methylphenyl)carbamoyl]-4-phenyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[(4R)-5-cyano-2-methyl-3-(o-tolylcarbamoyl)-4-phenyl-3,4-dihydropyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4R)-5-cyano-2-methyl-3-[(2-methylanilino)-oxomethyl]-4-phenyl-3,4-dihydropyridin-6-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[(4R)-5-cyano-2-methyl-3-[(2-methylphenyl)carbamoyl]-4-phenyl-3,4-dihydropyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4R)-5-cyano-2-methyl-3-(o-tolylcarbamoyl)-4-phenyl-3,4-dihydropyridin-6-yl]thio]acetic acid methyl ester Formula: C24H23N3O3S MolecularWeight: 433.52272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2C(C(=C(N=C2C)SCC(=O)OC)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2[C@@H](C(=C(N=C2C)SCC(=O)OC)C#N)C3=CC=CC=C3

InChI

InChI=1S/C24H23N3O3S/c1-15-9-7-8-12-19(15)27-23(29)21-16(2)26-24(31-14-20(28)30-3)18(13-25)22(21)17-10-5-4-6-11-17/h4-12,21-22H,14H2,1-3H3,(H,27,29)/t21?,22-/m1/s1