prop-2-ynyl 4-[4-[(3,5-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[(3,5-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(3,5-dimethoxyphenyl)methylcarbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[(3,5-dimethoxyphenyl)methylamino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(3,5-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(3,5-dimethoxybenzyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C)OC

InChI

InChI=1S/C22H25N3O5S/c1-4-9-30-22(27)25-7-5-16(6-8-25)21-24-19(14-31-21)20(26)23-13-15-10-17(28-2)12-18(11-15)29-3/h1,10-12,14,16H,5-9,13H2,2-3H3,(H,23,26)