2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)thio]acetic acid IUPAC Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)thio]acetic acid Formula: C10H9NO3S2 MolecularWeight: 255.31336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)SCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)SCC(=O)O

InChI

InChI=1S/C10H9NO3S2/c1-14-6-2-3-8-7(4-6)11-10(16-8)15-5-9(12)13/h2-4H,5H2,1H3,(H,12,13)