[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-hydroxy-5-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-5-(2-thienylsulfonylamino)benzoic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H19N3O6S3 MolecularWeight: 517.59776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)COC(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CS4)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)COC(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CS4)O)C

InChI

InChI=1S/C22H19N3O6S3/c1-12-8-13(2)20-17(9-12)33-22(24-20)23-18(27)11-31-21(28)15-10-14(5-6-16(15)26)25-34(29,30)19-4-3-7-32-19/h3-10,25-26H,11H2,1-2H3,(H,23,24,27)