[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C23H19N3O5S3 MolecularWeight: 513.60906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)OCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)OCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C23H19N3O5S3/c24-34(29,30)18-5-3-4-17(12-18)25-21(27)13-31-22(28)16-10-8-15(9-11-16)14-32-23-26-19-6-1-2-7-20(19)33-23/h1-12H,13-14H2,(H,25,27)(H2,24,29,30)