3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid Formula: C10H9NO2S2 MolecularWeight: 239.31396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)O

InChI

InChI=1S/C10H9NO2S2/c12-9(13)5-6-14-10-11-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,12,13)