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

Systemtic Name: diethyl 5-[3-cyano-4-[1-[(2-cyanophenyl)methyl]indol-3-yl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[1-[(2-cyanophenyl)methyl]indol-3-yl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[1-[(2-cyanophenyl)methyl]-3-indolyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[1-[(2-cyanophenyl)methyl]indol-3-yl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-[1-(2-cyanobenzyl)indol-3-yl]-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C32H27N3O5S MolecularWeight: 565.63888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4C#N)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4C#N)C#N

InChI

InChI=1S/C32H27N3O5S/c1-4-39-31(37)29-20(3)30(32(38)40-5-2)41-28(29)15-27(36)23(17-34)14-24-19-35(26-13-9-8-12-25(24)26)18-22-11-7-6-10-21(22)16-33/h6-14,19H,4-5,15,18H2,1-3H3