ethyl (2S,3S)-3-[[(2S)-1-oxidanylidene-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: ethyl (2S,3S)-3-[[(2S)-1-oxidanylidene-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: ethyl (2S,3S)-3-[[(1S)-2-(allylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylate CAS Name: (2S,3S)-3-[oxo-[[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]amino]methyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-[[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: (2S,3S)-3-[[(1S)-2-(allylamino)-1-benzyl-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid ethyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC=C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC=C

InChI

InChI=1S/C18H22N2O5/c1-3-10-19-16(21)13(11-12-8-6-5-7-9-12)20-17(22)14-15(25-14)18(23)24-4-2/h3,5-9,13-15H,1,4,10-11H2,2H3,(H,19,21)(H,20,22)/t13-,14-,15-/m0/s1