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

Systemtic Name: diethyl 5-[3-cyano-4-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[3-methyl-4-(1-pyrrolidinyl)phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-(3-methyl-4-pyrrolidino-phenyl)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)N3CCCC3)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C=C2)N3CCCC3)C)C#N

InChI

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