[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-(3,5-dimethylisoxazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)propanoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)propionic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-15-18(16(2)28-24-15)12-13-22(26)27-14-21(25)23-19-10-6-7-11-20(19)29-17-8-4-3-5-9-17/h3-11H,12-14H2,1-2H3,(H,23,25)