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

Systemtic Name: ethyl 2-acetamido-6-bromanyl-7-[2-(4-nitrophenyl)-2-oxidanylidene-ethoxy]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-bromo-7-[2-(4-nitrophenyl)-2-oxo-ethoxy]benzothiophene-3-carboxylate CAS Name: 2-acetamido-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-bromo-7-[2-keto-2-(4-nitrophenyl)ethoxy]benzothiophene-3-carboxylic acid ethyl ester Formula: C21H17BrN2O7S MolecularWeight: 521.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)NC(=O)C

InChI

InChI=1S/C21H17BrN2O7S/c1-3-30-21(27)17-14-8-9-15(22)18(19(14)32-20(17)23-11(2)25)31-10-16(26)12-4-6-13(7-5-12)24(28)29/h4-9H,3,10H2,1-2H3,(H,23,25)