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

Systemtic Name: diethyl 5-[4-[4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-[4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-[4-(4-bromobenzyl)oxy-3-methoxy-phenyl]-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C30H28BrNO7S MolecularWeight: 626.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Br)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Br)OC)C#N

InChI

InChI=1S/C30H28BrNO7S/c1-5-37-29(34)27-18(3)28(30(35)38-6-2)40-26(27)15-23(33)21(16-32)13-20-9-12-24(25(14-20)36-4)39-17-19-7-10-22(31)11-8-19/h7-14H,5-6,15,17H2,1-4H3