ethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]phenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

InChI

InChI=1S/C21H27N3O4S/c1-4-27-21(26)24-11-9-16(10-12-24)22-20(25)17-7-5-6-8-19(17)29-13-18-14(2)23-28-15(18)3/h5-8,16H,4,9-13H2,1-3H3,(H,22,25)