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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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