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

Systemtic Name: diethyl 5-[3-cyano-4-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(2-methyl-1H-indol-3-yl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(2-methyl-1H-indol-3-yl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(2-methyl-1H-indol-3-yl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-(2-methyl-1H-indol-3-yl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(NC3=CC=CC=C32)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(NC3=CC=CC=C32)C)C#N

InChI

InChI=1S/C25H24N2O5S/c1-5-31-24(29)22-14(3)23(25(30)32-6-2)33-21(22)12-20(28)16(13-26)11-18-15(4)27-19-10-8-7-9-17(18)19/h7-11,27H,5-6,12H2,1-4H3