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

Systemtic Name: diethyl 5-[3-cyano-2-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-2-oxo-4-(4-pyrrolidin-1-ylphenyl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-2-oxo-4-[4-(1-pyrrolidinyl)phenyl]but-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-2-oxo-4-(4-pyrrolidin-1-ylphenyl)but-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-(4-pyrrolidinophenyl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5S/c1-4-32-25(30)23-17(3)24(26(31)33-5-2)34-22(23)15-21(29)19(16-27)14-18-8-10-20(11-9-18)28-12-6-7-13-28/h8-11,14H,4-7,12-13,15H2,1-3H3