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

Systemtic Name: diethyl 5-[4-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(4-benzoxy-3-bromo-5-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)Br)OCC3=CC=CC=C3)OC)C#N

Isomeric SMILES

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

InChI

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