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

Systemtic Name: diethyl 5-[3-cyano-4-(3,4-diethoxyphenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(3,4-diethoxyphenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(3,4-diethoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(3,4-diethoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-(3,4-diethoxyphenyl)-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H29NO7S MolecularWeight: 499.57596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)OCC

InChI

InChI=1S/C26H29NO7S/c1-6-31-20-11-10-17(13-21(20)32-7-2)12-18(15-27)19(28)14-22-23(25(29)33-8-3)16(5)24(35-22)26(30)34-9-4/h10-13H,6-9,14H2,1-5H3