ethyl (3R,4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: ethyl (3R,4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl (3R,4R)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3R,4R)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3R,4R)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-keto-4-(2-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)N)C#N)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](C(=C(NC1=O)SCC(=O)N)C#N)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S/c1-2-27-17(24)14-13(9-5-3-4-6-11(9)21(25)26)10(7-18)16(20-15(14)23)28-8-12(19)22/h3-6,13-14H,2,8H2,1H3,(H2,19,22)(H,20,23)/t13-,14-/m1/s1