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

Systemtic Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid CAS Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)thio]propanoic acid IUPAC Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)thio]propionic acid Formula: C11H11NO2S2 MolecularWeight: 253.34054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2S2/c1-6-4-3-5-8-9(6)12-11(16-8)15-7(2)10(13)14/h3-5,7H,1-2H3,(H,13,14)