4-(2-sulfanyl-3H-1,3-benzothiazol-2-yl)butanoic acid

Systemtic Name: 4-(2-sulfanyl-3H-1,3-benzothiazol-2-yl)butanoic acid Openeye Name: 4-(2-sulfanyl-3H-1,3-benzothiazol-2-yl)butanoic acid CAS Name: 4-(2-mercapto-3H-1,3-benzothiazol-2-yl)butanoic acid IUPAC Name: 4-(2-sulfanyl-3H-1,3-benzothiazol-2-yl)butanoic acid Traditional Name: 4-(2-mercapto-3H-1,3-benzothiazol-2-yl)butyric acid Formula: C11H13NO2S2 MolecularWeight: 255.35642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(S2)(CCCC(=O)O)S

Isomeric SMILES

C1=CC=C2C(=C1)NC(S2)(CCCC(=O)O)S

InChI

InChI=1S/C11H13NO2S2/c13-10(14)6-3-7-11(15)12-8-4-1-2-5-9(8)16-11/h1-2,4-5,12,15H,3,6-7H2,(H,13,14)