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

Systemtic Name: ethyl 2-[[(4R)-5-cyano-2-methyl-3-[(2-methylphenyl)carbamoyl]-4-phenyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-4-31-21(29)15-32-25-19(14-26)23(18-11-6-5-7-12-18)22(17(3)27-25)24(30)28-20-13-9-8-10-16(20)2/h5-13,22-23H,4,15H2,1-3H3,(H,28,30)/t22?,23-/m1/s1