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

Systemtic Name: diethyl 5-[3-cyano-2-oxidanylidene-4-(4-piperidin-1-ylphenyl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-2-oxo-4-[4-(1-piperidyl)phenyl]but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-2-oxo-4-[4-(1-piperidinyl)phenyl]but-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-2-oxo-4-(4-piperidin-1-ylphenyl)but-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-(4-piperidinophenyl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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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)N3CCCCC3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O5S/c1-4-33-26(31)24-18(3)25(27(32)34-5-2)35-23(24)16-22(30)20(17-28)15-19-9-11-21(12-10-19)29-13-7-6-8-14-29/h9-12,15H,4-8,13-14,16H2,1-3H3