ethyl 3-acetamido-6-bromanyl-7-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-acetamido-6-bromanyl-7-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-acetamido-6-bromo-7-[2-(4-bromophenyl)-2-oxo-ethoxy]benzothiophene-2-carboxylate CAS Name: 3-acetamido-6-bromo-7-[2-(4-bromophenyl)-2-oxoethoxy]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetamido-6-bromo-7-[2-(4-bromophenyl)-2-oxoethoxy]-1-benzothiophene-2-carboxylate Traditional Name: 3-acetamido-6-bromo-7-[2-(4-bromophenyl)-2-keto-ethoxy]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H17Br2NO5S MolecularWeight: 555.23638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C(=C(C=C2)Br)OCC(=O)C3=CC=C(C=C3)Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C(=C(C=C2)Br)OCC(=O)C3=CC=C(C=C3)Br)NC(=O)C

InChI

InChI=1S/C21H17Br2NO5S/c1-3-28-21(27)20-17(24-11(2)25)14-8-9-15(23)18(19(14)30-20)29-10-16(26)12-4-6-13(22)7-5-12/h4-9H,3,10H2,1-2H3,(H,24,25)