2-(2-methoxy-6-oxidanyl-4-propan-2-yl-phenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate

Systemtic Name: 2-(2-methoxy-6-oxidanyl-4-propan-2-yl-phenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate Openeye Name: 2-(2-hydroxy-4-isopropyl-6-methoxy-phenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate CAS Name: 2-(2-hydroxy-6-methoxy-4-propan-2-ylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate IUPAC Name: 2-(2-hydroxy-6-methoxy-4-propan-2-ylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate Traditional Name: 2-(2-hydroxy-4-isopropyl-6-methoxy-phenyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionate Formula: C20H20NO7S- MolecularWeight: 418.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)OC)C(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)[O-])O

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)OC)C(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)[O-])O

InChI

InChI=1S/C20H21NO7S/c1-11(2)12-8-15(22)18(16(9-12)28-3)14(20(24)25)10-21-19(23)13-6-4-5-7-17(13)29(21,26)27/h4-9,11,14,22H,10H2,1-3H3,(H,24,25)/p-1