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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2S2/c1-7-3-2-4-8-10(7)12-11(16-8)15-6-5-9(13)14/h2-4H,5-6H2,1H3,(H,13,14)