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

Systemtic Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-iodanylbenzoate Openeye Name: [(1S)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic 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] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [(1S)-2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C14H13IN2O4 MolecularWeight: 400.16849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)OC(=O)C2=CC=CC=C2I

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)OC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C14H13IN2O4/c1-8-7-12(17-21-8)16-13(18)9(2)20-14(19)10-5-3-4-6-11(10)15/h3-7,9H,1-2H3,(H,16,17,18)/t9-/m0/s1