diethyl 5-[3-cyano-4-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-cyano-4-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(4-methoxy-3-nitro-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(4-methoxy-3-nitrophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(4-methoxy-3-nitrophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-(4-methoxy-3-nitro-phenyl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H22N2O8S MolecularWeight: 486.49438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H22N2O8S/c1-5-32-22(27)20-13(3)21(23(28)33-6-2)34-19(20)11-17(26)15(12-24)9-14-7-8-18(31-4)16(10-14)25(29)30/h7-10H,5-6,11H2,1-4H3