ethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-cyclohexyl-2-phenyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-cyclohexyl-2-phenyl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-cyclohexyl-2-phenyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-cyclohexyl-2-phenyl-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-cyclohexyl-2-phenyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-4-cyclohexyl-2-phenyl-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C2=CC=CC=C2)SCC(=O)N)C#N)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C2=CC=CC=C2)SCC(=O)N)C#N)C3CCCCC3

InChI

InChI=1S/C23H27N3O3S/c1-2-29-23(28)20-19(15-9-5-3-6-10-15)17(13-24)22(30-14-18(25)27)26-21(20)16-11-7-4-8-12-16/h4,7-8,11-12,15,19-20H,2-3,5-6,9-10,14H2,1H3,(H2,25,27)/t19-,20?/m1/s1