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

Systemtic Name: ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2,4-bis(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2,4-bis(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[(2-amino-2-oxoethyl)thio]-5-cyano-2,4-bis(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2,4-bis(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2,4-bis(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H19N5O7S MolecularWeight: 509.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O7S/c1-2-35-23(30)20-19(13-3-7-15(8-4-13)27(31)32)17(11-24)22(36-12-18(25)29)26-21(20)14-5-9-16(10-6-14)28(33)34/h3-10,19,26H,2,12H2,1H3,(H2,25,29)