[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC#C)SC1=CC=CC=C1

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC#C)SC1=CC=CC=C1

InChI

InChI=1S/C14H15NO3S/c1-3-9-15-13(16)10-18-14(17)11(2)19-12-7-5-4-6-8-12/h1,4-8,11H,9-10H2,2H3,(H,15,16)/t11-/m1/s1