1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2,3-dihydrobenzofuran-5-yl)thiazole-4-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-(2,3-dihydrobenzofuran-5-yl)-4-thiazolyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-(2-coumaran-5-ylthiazole-4-carbonyl)isonipecotic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CSC(=N2)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CSC(=N2)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C18H18N2O4S/c21-17(20-6-3-11(4-7-20)18(22)23)14-10-25-16(19-14)13-1-2-15-12(9-13)5-8-24-15/h1-2,9-11H,3-8H2,(H,22,23)