methyl 5-(3-benzamidophenyl)-4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)thiophene-2-carboxylate

Systemtic Name: methyl 5-(3-benzamidophenyl)-4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)thiophene-2-carboxylate Openeye Name: methyl 5-(3-benzamidophenyl)-4-bromo-3-(2-ethoxy-2-oxo-ethoxy)thiophene-2-carboxylate CAS Name: 5-(3-benzamidophenyl)-4-bromo-3-(2-ethoxy-2-oxoethoxy)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(3-benzamidophenyl)-4-bromo-3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate Traditional Name: 5-(3-benzamidophenyl)-4-bromo-3-(2-ethoxy-2-keto-ethoxy)thiophene-2-carboxylic acid methyl ester Formula: C23H20BrNO6S MolecularWeight: 518.377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H20BrNO6S/c1-3-30-17(26)13-31-19-18(24)20(32-21(19)23(28)29-2)15-10-7-11-16(12-15)25-22(27)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3,(H,25,27)