methyl 6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 6-[[2-(4-bromoanilino)-2-oxoethyl]thio]-5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-5-cyano-2-keto-4-(2-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C22H17BrN4O6S MolecularWeight: 545.36258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H17BrN4O6S/c1-33-22(30)19-18(14-4-2-3-5-16(14)27(31)32)15(10-24)21(26-20(19)29)34-11-17(28)25-13-8-6-12(23)7-9-13/h2-9,18-19H,11H2,1H3,(H,25,28)(H,26,29)