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

Systemtic Name: diethyl 5-[4-[3-bromanyl-4-[(2-cyanophenyl)methoxy]phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-[3-bromo-4-(2-cyanobenzyl)oxy-phenyl]-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C30H25BrN2O6S MolecularWeight: 621.4983

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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=CC=C3C#N)Br)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)Br)C#N

InChI

InChI=1S/C30H25BrN2O6S/c1-4-37-29(35)27-18(3)28(30(36)38-5-2)40-26(27)14-24(34)22(16-33)12-19-10-11-25(23(31)13-19)39-17-21-9-7-6-8-20(21)15-32/h6-13H,4-5,14,17H2,1-3H3