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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-propanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-propanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-2-methylpropanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-2-methyl-propionic acid Formula: C11H11NO2S2 MolecularWeight: 253.34054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2S2/c1-11(2,9(13)14)16-10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,13,14)