[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-acetamidobenzoate

Systemtic Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-acetamidobenzoate Openeye Name: [(1S)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [(1S)-2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C16H17N3O5/c1-9-8-14(19-24-9)18-15(21)10(2)23-16(22)12-4-6-13(7-5-12)17-11(3)20/h4-8,10H,1-3H3,(H,17,20)(H,18,19,21)/t10-/m0/s1