[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-thiophenyl)sulfonylamino]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] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C21H16BrN3O6S3 MolecularWeight: 582.46724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C21H16BrN3O6S3/c1-30-14-6-7-15-16(10-14)32-21(23-15)24-18(26)11-31-20(27)12-2-4-13(5-3-12)25-34(28,29)19-9-8-17(22)33-19/h2-10,25H,11H2,1H3,(H,23,24,26)