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

Systemtic Name: diethyl 5-[3-cyano-2-oxidanylidene-4-[1-(phenylmethyl)indol-3-yl]but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(1-benzylindol-3-yl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-2-oxo-4-[1-(phenylmethyl)-3-indolyl]but-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(1-benzylindol-3-yl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(1-benzylindol-3-yl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C31H28N2O5S MolecularWeight: 540.62942

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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=C4)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=C4)C#N

InChI

InChI=1S/C31H28N2O5S/c1-4-37-30(35)28-20(3)29(31(36)38-5-2)39-27(28)16-26(34)22(17-32)15-23-19-33(18-21-11-7-6-8-12-21)25-14-10-9-13-24(23)25/h6-15,19H,4-5,16,18H2,1-3H3