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

Systemtic Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]butanoic acid Openeye Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]butanoic acid CAS Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)thio]butanoic acid IUPAC Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]butanoic acid Traditional Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)thio]butyric acid Formula: C12H13NO2S2 MolecularWeight: 267.36712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)SCCCC(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)SCCCC(=O)O

InChI

InChI=1S/C12H13NO2S2/c1-8-4-2-5-9-11(8)13-12(17-9)16-7-3-6-10(14)15/h2,4-5H,3,6-7H2,1H3,(H,14,15)