[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC#C)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5S/c1-3-8-15-13(17)9-21-14(18)10(2)22-12-6-4-11(5-7-12)16(19)20/h1,4-7,10H,8-9H2,2H3,(H,15,17)/t10-/m1/s1