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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid CAS Name: 3-(1,3-benzothiazol-2-ylthio)butanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)butyric acid Formula: C11H11NO2S2 MolecularWeight: 253.34054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2S2/c1-7(6-10(13)14)15-11-12-8-4-2-3-5-9(8)16-11/h2-5,7H,6H2,1H3,(H,13,14)