ethyl 2-acetamido-6-bromanyl-7-(4-nitrophenyl)carbonyloxy-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-6-bromanyl-7-(4-nitrophenyl)carbonyloxy-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-bromo-7-(4-nitrobenzoyl)oxy-benzothiophene-3-carboxylate CAS Name: 2-acetamido-6-bromo-7-[(4-nitrophenyl)-oxomethoxy]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-bromo-7-(4-nitrobenzoyl)oxy-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-bromo-7-(4-nitrobenzoyl)oxy-benzothiophene-3-carboxylic acid ethyl ester Formula: C20H15BrN2O7S MolecularWeight: 507.3113

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)NC(=O)C

InChI

InChI=1S/C20H15BrN2O7S/c1-3-29-20(26)15-13-8-9-14(21)16(17(13)31-18(15)22-10(2)24)30-19(25)11-4-6-12(7-5-11)23(27)28/h4-9H,3H2,1-2H3,(H,22,24)