2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-propanoic acid CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-methylpropanoic acid IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-methyl-propionic acid Formula: C13H15NO3S2 MolecularWeight: 297.3931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SC(C)(C)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SC(C)(C)C(=O)O

InChI

InChI=1S/C13H15NO3S2/c1-4-17-8-5-6-9-10(7-8)18-12(14-9)19-13(2,3)11(15)16/h5-7H,4H2,1-3H3,(H,15,16)