diethyl 5-[4-[2-[(4-bromophenyl)methoxy]phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[4-[2-[(4-bromophenyl)methoxy]phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-[2-[(4-bromophenyl)methoxy]phenyl]-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-[2-[(4-bromophenyl)methoxy]phenyl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-[2-[(4-bromophenyl)methoxy]phenyl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-[2-(4-bromobenzyl)oxyphenyl]-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C29H26BrNO6S MolecularWeight: 596.48884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C29H26BrNO6S/c1-4-35-28(33)26-18(3)27(29(34)36-5-2)38-25(26)15-23(32)21(16-31)14-20-8-6-7-9-24(20)37-17-19-10-12-22(30)13-11-19/h6-14H,4-5,15,17H2,1-3H3