3-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-butanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-butanoic acid CAS Name: 3-(1,3-benzothiazol-2-ylthio)-2-methylbutanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylbutanoic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-2-methyl-butyric acid Formula: C12H13NO2S2 MolecularWeight: 267.36712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)SC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CC(C(C)SC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C12H13NO2S2/c1-7(11(14)15)8(2)16-12-13-9-5-3-4-6-10(9)17-12/h3-8H,1-2H3,(H,14,15)