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

Systemtic Name: butyl 2-[[(4R)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-phenyl-3,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[(4R)-3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-phenyl-3,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[(4R)-3-cyano-6-methyl-5-[(2-methylanilino)-oxomethyl]-4-phenyl-3,4-dihydropyridin-2-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[(4R)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-phenyl-3,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(4R)-3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-phenyl-3,4-dihydropyridin-2-yl]thio]acetic acid butyl ester Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC(=C(C(C1C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c1-4-5-15-33-23(31)17-34-27-21(16-28)25(20-12-7-6-8-13-20)24(19(3)29-27)26(32)30-22-14-10-9-11-18(22)2/h6-14,21,25H,4-5,15,17H2,1-3H3,(H,30,32)/t21?,25-/m0/s1