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

Systemtic Name: diethyl 5-[3-cyano-2-oxidanylidene-4-(1,2,5-triphenylpyrrol-3-yl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-2-oxo-4-(1,2,5-triphenylpyrrol-3-yl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-2-oxo-4-(1,2,5-triphenyl-3-pyrrolyl)but-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-2-oxo-4-(1,2,5-triphenylpyrrol-3-yl)but-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-(1,2,5-triphenylpyrrol-3-yl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C38H32N2O5S MolecularWeight: 628.73608

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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(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C38H32N2O5S/c1-4-44-37(42)34-25(3)36(38(43)45-5-2)46-33(34)23-32(41)29(24-39)21-28-22-31(26-15-9-6-10-16-26)40(30-19-13-8-14-20-30)35(28)27-17-11-7-12-18-27/h6-22H,4-5,23H2,1-3H3