ethyl 2-benzamido-6-bromanyl-7-(4-nitrophenyl)sulfonyloxy-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-benzamido-6-bromanyl-7-(4-nitrophenyl)sulfonyloxy-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-benzamido-6-bromo-7-(4-nitrophenyl)sulfonyloxy-benzothiophene-3-carboxylate CAS Name: 2-benzamido-6-bromo-7-(4-nitrophenyl)sulfonyloxy-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-6-bromo-7-(4-nitrophenyl)sulfonyloxy-1-benzothiophene-3-carboxylate Traditional Name: 2-benzamido-6-bromo-7-nosyloxy-benzothiophene-3-carboxylic acid ethyl ester Formula: C24H17BrN2O8S2 MolecularWeight: 605.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H17BrN2O8S2/c1-2-34-24(29)19-17-12-13-18(25)20(35-37(32,33)16-10-8-15(9-11-16)27(30)31)21(17)36-23(19)26-22(28)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,26,28)