5-methoxy-1,3-benzothiazole-4-carboxylic acid; 2-(5-methoxy-1,3-benzothiazol-4-yl)ethanoic acid

Systemtic Name: 5-methoxy-1,3-benzothiazole-4-carboxylic acid; 2-(5-methoxy-1,3-benzothiazol-4-yl)ethanoic acid Openeye Name: 5-methoxy-1,3-benzothiazole-4-carboxylic acid; 2-(5-methoxy-1,3-benzothiazol-4-yl)acetic acid CAS Name: 5-methoxy-1,3-benzothiazole-4-carboxylic acid; 2-(5-methoxy-1,3-benzothiazol-4-yl)acetic acid IUPAC Name: 5-methoxy-1,3-benzothiazole-4-carboxylic acid; 2-(5-methoxy-1,3-benzothiazol-4-yl)acetic acid Traditional Name: 5-methoxy-1,3-benzothiazole-4-carboxylic acid; 2-(5-methoxy-1,3-benzothiazol-4-yl)acetic acid Formula: C19H16N2O6S2 MolecularWeight: 432.47014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)SC=N2)CC(=O)O.COC1=C(C2=C(C=C1)SC=N2)C(=O)O

Isomeric SMILES

COC1=C(C2=C(C=C1)SC=N2)CC(=O)O.COC1=C(C2=C(C=C1)SC=N2)C(=O)O

InChI

InChI=1S/C10H9NO3S.C9H7NO3S/c1-14-7-2-3-8-10(11-5-15-8)6(7)4-9(12)13;1-13-5-2-3-6-8(10-4-14-6)7(5)9(11)12/h2-3,5H,4H2,1H3,(H,12,13);2-4H,1H3,(H,11,12)