4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid Formula: C11H11NO2S2 MolecularWeight: 253.34054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)O

InChI

InChI=1S/C11H11NO2S2/c13-10(14)6-3-7-15-11-12-8-4-1-2-5-9(8)16-11/h1-2,4-5H,3,6-7H2,(H,13,14)