propyl 2-[[(4R)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-pyridin-3-yl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: propyl 2-[[(4R)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-pyridin-3-yl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[(4R)-3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(3-pyridyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[(4R)-3-cyano-6-methyl-5-[(2-methylanilino)-oxomethyl]-4-(3-pyridinyl)-1,4-dihydropyridin-2-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[(4R)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-pyridin-3-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(4R)-3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(3-pyridyl)-1,4-dihydropyridin-2-yl]thio]acetic acid propyl ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2C)C3=CN=CC=C3)C#N

Isomeric SMILES

CCCOC(=O)CSC1=C([C@@H](C(=C(N1)C)C(=O)NC2=CC=CC=C2C)C3=CN=CC=C3)C#N

InChI

InChI=1S/C25H26N4O3S/c1-4-12-32-21(30)15-33-25-19(13-26)23(18-9-7-11-27-14-18)22(17(3)28-25)24(31)29-20-10-6-5-8-16(20)2/h5-11,14,23,28H,4,12,15H2,1-3H3,(H,29,31)/t23-/m0/s1