ethyl (4S)-5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-2-phenyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CN=CC=C2)C#N)SCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O4S/c1-3-30-23(28)20-19(16-10-7-11-25-13-16)17(12-24)22(31-14-18(27)29-2)26-21(20)15-8-5-4-6-9-15/h4-11,13,19,26H,3,14H2,1-2H3/t19-/m1/s1