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

Systemtic Name: 2-[(2-methyl-1,3-benzothiazol-5-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(2-methyl-1,3-benzothiazol-5-yl)sulfanyl]acetic acid CAS Name: 2-[(2-methyl-1,3-benzothiazol-5-yl)thio]acetic acid IUPAC Name: 2-[(2-methyl-1,3-benzothiazol-5-yl)sulfanyl]acetic acid Traditional Name: 2-[(2-methyl-1,3-benzothiazol-5-yl)thio]acetic acid Formula: C10H9NO2S2 MolecularWeight: 239.31396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)SCC(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)SCC(=O)O

InChI

InChI=1S/C10H9NO2S2/c1-6-11-8-4-7(14-5-10(12)13)2-3-9(8)15-6/h2-4H,5H2,1H3,(H,12,13)