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

Systemtic Name: prop-2-ynyl 4-[4-[(3-chloranyl-4-methyl-phenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(3-chloro-4-methyl-phenyl)methylcarbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[(3-chloro-4-methylphenyl)methylamino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(3-chloro-4-methylphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(3-chloro-4-methyl-benzyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-3-10-28-21(27)25-8-6-16(7-9-25)20-24-18(13-29-20)19(26)23-12-15-5-4-14(2)17(22)11-15/h1,4-5,11,13,16H,6-10,12H2,2H3,(H,23,26)