ethyl (2R,3R,4R)-5-cyano-6-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-2-oxidanyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: ethyl (2R,3R,4R)-5-cyano-6-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-2-oxidanyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl (2R,3R,4R)-5-cyano-6-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-2-hydroxy-2-methyl-4-(2-thienyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (2R,3R,4R)-5-cyano-6-[[2-(cyclopropylamino)-2-oxoethyl]thio]-2-hydroxy-2-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,4R)-5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-hydroxy-2-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (2R,3R,4R)-5-cyano-6-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-2-hydroxy-2-methyl-4-(2-thienyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1(C)O)SCC(=O)NC2CC2)C#N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C(=C(N[C@]1(C)O)SCC(=O)NC2CC2)C#N)C3=CC=CS3

InChI

InChI=1S/C19H23N3O4S2/c1-3-26-18(24)16-15(13-5-4-8-27-13)12(9-20)17(22-19(16,2)25)28-10-14(23)21-11-6-7-11/h4-5,8,11,15-16,22,25H,3,6-7,10H2,1-2H3,(H,21,23)/t15-,16+,19-/m1/s1