1-[1,3-benzothiazol-2-yl-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-[4-(methylthio)phenyl]methyl]pipecolinic acid Formula: C21H22N2O2S2 MolecularWeight: 398.54158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O

InChI

InChI=1S/C21H22N2O2S2/c1-26-15-11-9-14(10-12-15)19(23-13-5-4-7-17(23)21(24)25)20-22-16-6-2-3-8-18(16)27-20/h2-3,6,8-12,17,19H,4-5,7,13H2,1H3,(H,24,25)