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

Systemtic Name: tert-butyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N4O4S/c1-14-17(15(2)29-23-14)13-30-18-16(7-6-8-22-18)19(26)24-9-11-25(12-10-24)20(27)28-21(3,4)5/h6-8H,9-13H2,1-5H3