methyl 2-[(1S)-1-[(3-bromanyl-2,2-dimethoxy-propanoyl)amino]-2-oxidanyl-ethyl]-5-phenyl-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[(1S)-1-[(3-bromanyl-2,2-dimethoxy-propanoyl)amino]-2-oxidanyl-ethyl]-5-phenyl-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[(1S)-1-[(3-bromo-2,2-dimethoxy-propanoyl)amino]-2-hydroxy-ethyl]-5-phenyl-oxazole-4-carboxylate CAS Name: 2-[(1S)-1-[(3-bromo-2,2-dimethoxy-1-oxopropyl)amino]-2-hydroxyethyl]-5-phenyl-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1S)-1-[(3-bromo-2,2-dimethoxypropanoyl)amino]-2-hydroxyethyl]-5-phenyl-1,3-oxazole-4-carboxylate Traditional Name: 2-[(1S)-1-[(3-bromo-2,2-dimethoxy-propanoyl)amino]-2-hydroxy-ethyl]-5-phenyl-oxazole-4-carboxylic acid methyl ester Formula: C18H21BrN2O7 MolecularWeight: 457.27254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC(=N1)C(CO)NC(=O)C(CBr)(OC)OC)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(OC(=N1)[C@H](CO)NC(=O)C(CBr)(OC)OC)C2=CC=CC=C2

InChI

InChI=1S/C18H21BrN2O7/c1-25-16(23)13-14(11-7-5-4-6-8-11)28-15(21-13)12(9-22)20-17(24)18(10-19,26-2)27-3/h4-8,12,22H,9-10H2,1-3H3,(H,20,24)/t12-/m0/s1