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

Systemtic Name: prop-2-ynyl 4-[4-[(3-methylphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-(m-tolylmethylcarbamoyl)thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[(3-methylphenyl)methylamino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(3-methylphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(3-methylbenzyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

InChI

InChI=1S/C21H23N3O3S/c1-3-11-27-21(26)24-9-7-17(8-10-24)20-23-18(14-28-20)19(25)22-13-16-6-4-5-15(2)12-16/h1,4-6,12,14,17H,7-11,13H2,2H3,(H,22,25)