1-[1,3-benzothiazol-2-yl-(6-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(6-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(6-methyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(6-methyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(6-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(6-methyl-2-pyridyl)methyl]proline Formula: C19H19N3O2S MolecularWeight: 353.43806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O

Isomeric SMILES

CC1=NC(=CC=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O

InChI

InChI=1S/C19H19N3O2S/c1-12-6-4-8-14(20-12)17(22-11-5-9-15(22)19(23)24)18-21-13-7-2-3-10-16(13)25-18/h2-4,6-8,10,15,17H,5,9,11H2,1H3,(H,23,24)