methyl 1-[(2-acetamido-1,3-thiazol-4-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2-acetamido-1,3-thiazol-4-yl)carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-(2-acetamidothiazole-4-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(2-acetamido-4-thiazolyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-acetamidothiazole-4-carbonyl)isonipecotic acid methyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)C(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=NC(=CS1)C(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C13H17N3O4S/c1-8(17)14-13-15-10(7-21-13)11(18)16-5-3-9(4-6-16)12(19)20-2/h7,9H,3-6H2,1-2H3,(H,14,15,17)