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

Systemtic Name: prop-2-ynyl 4-[4-[2-(3-methoxyphenyl)ethylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[2-(3-methoxyphenyl)ethylcarbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[2-(3-methoxyphenyl)ethylamino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[2-(3-methoxyphenyl)ethylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[2-(3-methoxyphenyl)ethylcarbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-3-13-29-22(27)25-11-8-17(9-12-25)21-24-19(15-30-21)20(26)23-10-7-16-5-4-6-18(14-16)28-2/h1,4-6,14-15,17H,7-13H2,2H3,(H,23,26)