ethyl (2S,3S,4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-2-oxidanyl-4-pyridin-4-yl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: ethyl (2S,3S,4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-2-oxidanyl-4-pyridin-4-yl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl (2S,3S,4R)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-hydroxy-2-methyl-4-(4-pyridyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (2S,3S,4R)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-hydroxy-2-methyl-4-pyridin-4-yl-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S,4R)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-hydroxy-2-methyl-4-pyridin-4-yl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (2S,3S,4R)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-hydroxy-2-methyl-4-(4-pyridyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1(C)O)SCC(=O)N)C#N)C2=CC=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-3-25-16(23)14-13(10-4-6-20-7-5-10)11(8-18)15(21-17(14,2)24)26-9-12(19)22/h4-7,13-14,21,24H,3,9H2,1-2H3,(H2,19,22)/t13-,14-,17+/m1/s1