4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]butanoic acid

Systemtic Name: 4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]butanoic acid Openeye Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]butanoic acid CAS Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)thio]butanoic acid IUPAC Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]butanoic acid Traditional Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)thio]butyric acid Formula: C11H10ClNO2S2 MolecularWeight: 287.7856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(S2)SCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(S2)SCCCC(=O)O

InChI

InChI=1S/C11H10ClNO2S2/c12-7-3-4-9-8(6-7)13-11(17-9)16-5-1-2-10(14)15/h3-4,6H,1-2,5H2,(H,14,15)