[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate

Systemtic Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate Openeye Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate CAS Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate Traditional Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C23H18N4O9S2 MolecularWeight: 558.54042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H18N4O9S2/c1-35-15-6-8-18-20(10-15)37-23(24-18)25-21(29)12-36-22(30)17-11-16(7-9-19(17)28)38(33,34)26-13-2-4-14(5-3-13)27(31)32/h2-11,26,28H,12H2,1H3,(H,24,25,29)