2-[4-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]oxyphenyl]ethanoate

Systemtic Name: 2-[4-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]oxyphenyl]ethanoate Openeye Name: 2-[4-[(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]acetate CAS Name: 2-[4-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxyphenyl]acetate IUPAC Name: 2-[4-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxyphenyl]acetate Traditional Name: 2-[4-[(1S)-2-keto-1-methyl-2-(propargylamino)ethoxy]phenyl]acetate Formula: C14H14NO4- MolecularWeight: 260.26526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)OC1=CC=C(C=C1)CC(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC#C)OC1=CC=C(C=C1)CC(=O)[O-]

InChI

InChI=1S/C14H15NO4/c1-3-8-15-14(18)10(2)19-12-6-4-11(5-7-12)9-13(16)17/h1,4-7,10H,8-9H2,2H3,(H,15,18)(H,16,17)/p-1/t10-/m0/s1