[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C14H14N2O4S MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=NOC=C2

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=NOC=C2

InChI

InChI=1S/C14H14N2O4S/c17-13(15-12-6-8-20-16-12)10-19-14(18)7-9-21-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2,(H,15,16,17)