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

Systemtic Name: tert-butyl 4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(3-methylisoxazol-5-yl)methylsulfanyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(3-methyl-5-isoxazolyl)methylthio]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-methylisoxazol-5-yl)methylthio]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

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