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

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]pentanoic acid IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]valeric acid Formula: C12H12ClNO2S2 MolecularWeight: 301.81218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

CCCC(C(=O)O)SC1=NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C12H12ClNO2S2/c1-2-3-10(11(15)16)18-12-14-8-6-7(13)4-5-9(8)17-12/h4-6,10H,2-3H2,1H3,(H,15,16)