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

Systemtic Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-propanoic acid CAS Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)thio]-2-methylpropanoic acid IUPAC Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)thio]-2-methyl-propionic acid Formula: C12H13NO3S2 MolecularWeight: 283.36652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=NC2=C(S1)C=CC(=C2)OC

Isomeric SMILES

CC(C)(C(=O)O)SC1=NC2=C(S1)C=CC(=C2)OC

InChI

InChI=1S/C12H13NO3S2/c1-12(2,10(14)15)18-11-13-8-6-7(16-3)4-5-9(8)17-11/h4-6H,1-3H3,(H,14,15)