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

Systemtic Name: diethyl 5-[4-(5-bromanylthiophen-2-yl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(5-bromo-2-thienyl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-(5-bromo-2-thiophenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(5-bromothiophen-2-yl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(5-bromo-2-thienyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H18BrNO5S2 MolecularWeight: 496.39462

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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(S2)Br)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=C(S2)Br)C#N

InChI

InChI=1S/C20H18BrNO5S2/c1-4-26-19(24)17-11(3)18(20(25)27-5-2)29-15(17)9-14(23)12(10-22)8-13-6-7-16(21)28-13/h6-8H,4-5,9H2,1-3H3