methyl (E)-2-methyl-7-(3-methyl-5-oxidanylidene-2H-1,2,4-oxadiazol-4-ium-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-4-enoate

Systemtic Name: methyl (E)-2-methyl-7-(3-methyl-5-oxidanylidene-2H-1,2,4-oxadiazol-4-ium-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-4-enoate Openeye Name: methyl (E)-2-(tert-butoxycarbonylamino)-2-methyl-7-(3-methyl-5-oxo-2H-1,2,4-oxadiazol-4-ium-4-yl)hept-4-enoate CAS Name: (E)-2-methyl-7-(3-methyl-5-oxo-2H-1,2,4-oxadiazol-4-ium-4-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-heptenoic acid methyl ester IUPAC Name: methyl (E)-2-methyl-7-(3-methyl-5-oxo-2H-1,2,4-oxadiazol-4-ium-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-4-enoate Traditional Name: (E)-2-(tert-butoxycarbonylamino)-7-(5-keto-3-methyl-2H-1,2,4-oxadiazol-4-ium-4-yl)-2-methyl-hept-4-enoic acid methyl ester Formula: C17H28N3O6+ MolecularWeight: 370.42072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)ON1)CCC=CCC(C)(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=[N+](C(=O)ON1)CC/C=C/CC(C)(C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H27N3O6/c1-12-19-26-15(23)20(12)11-9-7-8-10-17(5,13(21)24-6)18-14(22)25-16(2,3)4/h7-8H,9-11H2,1-6H3,(H,18,22)/p+1/b8-7+