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

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-ethyl-5-methyl-isoxazole-4-carboxylate CAS Name: 3-ethyl-5-methyl-4-isoxazolecarboxylic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-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-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C17H17N3O4/c1-4-14-15(10(2)24-20-14)17(22)23-11(3)16(21)19-13-7-5-12(9-18)6-8-13/h5-8,11H,4H2,1-3H3,(H,19,21)/t11-/m1/s1