[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-ethyl-5-methyl-isoxazole-4-carboxylate CAS Name: 3-ethyl-5-methyl-4-isoxazolecarboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-ethyl-5-methyl-isoxazole-4-carboxylic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)O[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H18N2O6/c1-4-12-15(9(2)25-19-12)17(21)24-10(3)16(20)18-11-5-6-13-14(7-11)23-8-22-13/h5-7,10H,4,8H2,1-3H3,(H,18,20)/t10-/m1/s1