ethyl (4R)-2-[(1R)-1-cyanoethyl]sulfanyl-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4R)-2-[(1R)-1-cyanoethyl]sulfanyl-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4R)-2-[(1R)-1-cyanoethyl]sulfanyl-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-[anilino(oxo)methyl]-2-[[(1R)-1-cyanoethyl]thio]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-[(1R)-1-cyanoethyl]sulfanyl-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-2-[[(1R)-1-cyanoethyl]thio]-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C)SC(C)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C)S[C@H](C)C#N

InChI

InChI=1S/C25H25N3O3S/c1-4-31-25(30)22-21(18-11-7-5-8-12-18)20(17(3)27-24(22)32-16(2)15-26)23(29)28-19-13-9-6-10-14-19/h5-14,16,21,27H,4H2,1-3H3,(H,28,29)/t16-,21-/m1/s1