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

Systemtic Name: prop-2-ynyl 4-[4-[(2-methylsulfanylphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(2-methylsulfanylphenyl)methylcarbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[[2-(methylthio)phenyl]methylamino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(2-methylsulfanylphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[[2-(methylthio)benzyl]carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

Isomeric SMILES

CSC1=CC=CC=C1CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

InChI

InChI=1S/C21H23N3O3S2/c1-3-12-27-21(26)24-10-8-15(9-11-24)20-23-17(14-29-20)19(25)22-13-16-6-4-5-7-18(16)28-2/h1,4-7,14-15H,8-13H2,2H3,(H,22,25)