3-[(6-butyl-5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(6-butyl-5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(6-butyl-5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(6-butyl-5-chloro-1,3-benzothiazol-2-yl)thio]propanoic acid IUPAC Name: 3-[(6-butyl-5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(6-butyl-5-chloro-1,3-benzothiazol-2-yl)thio]propionic acid Formula: C14H16ClNO2S2 MolecularWeight: 329.86534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1Cl)N=C(S2)SCCC(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1Cl)N=C(S2)SCCC(=O)O

InChI

InChI=1S/C14H16ClNO2S2/c1-2-3-4-9-7-12-11(8-10(9)15)16-14(20-12)19-6-5-13(17)18/h7-8H,2-6H2,1H3,(H,17,18)