[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=NOC=C2

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=NOC=C2

InChI

InChI=1S/C15H16N2O4S/c1-11-2-4-12(5-3-11)22-9-7-15(19)20-10-14(18)16-13-6-8-21-17-13/h2-6,8H,7,9-10H2,1H3,(H,16,17,18)