tert-butyl 4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H26N4O5S/c1-12-9-13(19-26-12)18-14(22)10-27-11-15(23)20-5-7-21(8-6-20)16(24)25-17(2,3)4/h9H,5-8,10-11H2,1-4H3,(H,18,19,22)