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

Systemtic Name: diethyl 5-[3-cyano-4-(5-nitro-2-piperidin-1-yl-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[5-nitro-2-(1-piperidyl)phenyl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[5-nitro-2-(1-piperidinyl)phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(5-nitro-2-piperidin-1-ylphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-(5-nitro-2-piperidino-phenyl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H29N3O7S MolecularWeight: 539.60006

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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-])N3CCCCC3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C#N

InChI

InChI=1S/C27H29N3O7S/c1-4-36-26(32)24-17(3)25(27(33)37-5-2)38-23(24)15-22(31)19(16-28)13-18-14-20(30(34)35)9-10-21(18)29-11-7-6-8-12-29/h9-10,13-14H,4-8,11-12,15H2,1-3H3