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

Systemtic Name: propyl 2-[[(4S)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-pyridin-3-yl-3,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[(4S)-3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(3-pyridyl)-3,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-3-cyano-6-methyl-5-[(2-methylanilino)-oxomethyl]-4-(3-pyridinyl)-3,4-dihydropyridin-2-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[(4S)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-pyridin-3-yl-3,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(3-pyridyl)-3,4-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=NC(=C(C(C1C#N)C2=CN=CC=C2)C(=O)NC3=CC=CC=C3C)C

Isomeric SMILES

CCCOC(=O)CSC1=NC(=C([C@@H](C1C#N)C2=CN=CC=C2)C(=O)NC3=CC=CC=C3C)C

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/h5-11,14,19,23H,4,12,15H2,1-3H3,(H,29,31)/t19?,23-/m1/s1