[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C17H13N3O7S2 MolecularWeight: 435.43102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C17H13N3O7S2/c18-29(25,26)13-4-1-11(2-5-13)19-16(21)9-27-17(22)15-8-10-7-12(20(23)24)3-6-14(10)28-15/h1-8H,9H2,(H,19,21)(H2,18,25,26)