ethyl (4S)-5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-6-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-(2-furanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-(2-furyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CO2)C#N)SCC(=O)NC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-2-33-27(32)24-23(21-14-9-15-34-21)20(16-28)26(30-25(24)18-10-5-3-6-11-18)35-17-22(31)29-19-12-7-4-8-13-19/h3,5-6,9-11,14-15,19,23,30H,2,4,7-8,12-13,17H2,1H3,(H,29,31)/t23-/m0/s1