3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)thio]propanoic acid IUPAC Name: 3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)thio]propionic acid Formula: C12H13NO2S2 MolecularWeight: 267.36712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)SCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)SCCC(=O)O)C

InChI

InChI=1S/C12H13NO2S2/c1-7-5-8(2)11-9(6-7)17-12(13-11)16-4-3-10(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)