6-methoxy-3-oxidanyl-4-propan-2-yl-2-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzoic acid

Systemtic Name: 6-methoxy-3-oxidanyl-4-propan-2-yl-2-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzoic acid Openeye Name: 3-hydroxy-4-isopropyl-6-methoxy-2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid CAS Name: 3-hydroxy-6-methoxy-4-propan-2-yl-2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid IUPAC Name: 3-hydroxy-6-methoxy-4-propan-2-yl-2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid Traditional Name: 3-hydroxy-4-isopropyl-6-methoxy-2-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]benzoic acid Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)O)OC

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)O)OC

InChI

InChI=1S/C19H19NO7S/c1-10(2)12-8-14(27-3)16(19(23)24)13(17(12)21)9-20-18(22)11-6-4-5-7-15(11)28(20,25)26/h4-8,10,21H,9H2,1-3H3,(H,23,24)