tert-butyl (1S,6R)-6-methyl-4-(1,2-oxazol-3-ylamino)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: tert-butyl (1S,6R)-6-methyl-4-(1,2-oxazol-3-ylamino)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: tert-butyl (1S,6R)-4-(isoxazol-3-ylamino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(3-isoxazolylamino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,6R)-6-methyl-4-(1,2-oxazol-3-ylamino)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(isoxazol-3-ylamino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid tert-butyl ester Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC(C)(C)C)NC2=NOC=C2

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC(C)(C)C)NC2=NOC=C2

InChI

InChI=1S/C15H20N2O4/c1-9-7-10(16-12-5-6-20-17-12)8-11(18)13(9)14(19)21-15(2,3)4/h5-6,8-9,13H,7H2,1-4H3,(H,16,17)/t9-,13+/m1/s1