4-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]butanoic acid

Systemtic Name: 4-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]butanoic acid Openeye Name: 4-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]butanoic acid CAS Name: 4-[(6-amino-1,3-benzothiazol-2-yl)thio]butanoic acid IUPAC Name: 4-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]butanoic acid Traditional Name: 4-[(6-amino-1,3-benzothiazol-2-yl)thio]butyric acid Formula: C11H12N2O2S2 MolecularWeight: 268.35518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)SC(=N2)SCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N)SC(=N2)SCCCC(=O)O

InChI

InChI=1S/C11H12N2O2S2/c12-7-3-4-8-9(6-7)17-11(13-8)16-5-1-2-10(14)15/h3-4,6H,1-2,5,12H2,(H,14,15)