tert-butyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O4S/c1-15-18(16(2)29-23-15)14-30-19-9-7-6-8-17(19)20(26)24-10-12-25(13-11-24)21(27)28-22(3,4)5/h6-9H,10-14H2,1-5H3