1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid

Systemtic Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid Openeye Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid CAS Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxylic acid IUPAC Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid Traditional Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)nipecotic acid Formula: C15H18N2O2S MolecularWeight: 290.38062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C15H18N2O2S/c1-9-6-10(2)13-12(7-9)20-15(16-13)17-5-3-4-11(8-17)14(18)19/h6-7,11H,3-5,8H2,1-2H3,(H,18,19)