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

Systemtic Name: diethyl 5-[3-cyano-4-(1,2-dimethylindol-3-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(1,2-dimethylindol-3-yl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(1,2-dimethyl-3-indolyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(1,2-dimethylindol-3-yl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-(1,2-dimethylindol-3-yl)-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(N(C3=CC=CC=C32)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(N(C3=CC=CC=C32)C)C)C#N

InChI

InChI=1S/C26H26N2O5S/c1-6-32-25(30)23-15(3)24(26(31)33-7-2)34-22(23)13-21(29)17(14-27)12-19-16(4)28(5)20-11-9-8-10-18(19)20/h8-12H,6-7,13H2,1-5H3