ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-5-cyano-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H20N4O5S MolecularWeight: 464.4937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)SCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)SCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C23H20N4O5S/c1-2-32-23(29)20-19(15-9-6-10-16(11-15)27(30)31)17(12-24)22(33-13-18(25)28)26-21(20)14-7-4-3-5-8-14/h3-11,19,26H,2,13H2,1H3,(H2,25,28)