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

Systemtic Name: 2-(2-methoxy-4-oxidanyl-phenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate Openeye Name: 2-(4-hydroxy-2-methoxy-phenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate CAS Name: 2-(4-hydroxy-2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate IUPAC Name: 2-(4-hydroxy-2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate Traditional Name: 2-(4-hydroxy-2-methoxy-phenyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionate Formula: C17H14NO7S- MolecularWeight: 376.36056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)O)C(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)O)C(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)[O-]

InChI

InChI=1S/C17H15NO7S/c1-25-14-8-10(19)6-7-11(14)13(17(21)22)9-18-16(20)12-4-2-3-5-15(12)26(18,23)24/h2-8,13,19H,9H2,1H3,(H,21,22)/p-1