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

Systemtic Name: 2-methoxy-4-propan-2-yl-6-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzoic acid Openeye Name: 4-isopropyl-2-methoxy-6-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid CAS Name: 2-methoxy-4-propan-2-yl-6-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid IUPAC Name: 2-methoxy-4-propan-2-yl-6-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid Traditional Name: 4-isopropyl-2-methoxy-6-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]benzoic acid Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6S/c1-11(2)12-8-13(17(19(22)23)15(9-12)26-3)10-20-18(21)14-6-4-5-7-16(14)27(20,24)25/h4-9,11H,10H2,1-3H3,(H,22,23)