diethyl 5-[3-cyano-4-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-cyano-4-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-[2-(4-methylpiperazino)-5-nitro-phenyl]but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H30N4O7S MolecularWeight: 554.6147

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C)C#N

InChI

InChI=1S/C27H30N4O7S/c1-5-37-26(33)24-17(3)25(27(34)38-6-2)39-23(24)15-22(32)19(16-28)13-18-14-20(31(35)36)7-8-21(18)30-11-9-29(4)10-12-30/h7-8,13-14H,5-6,9-12,15H2,1-4H3