[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

InChI

InChI=1S/C22H22N2O4S/c1-14-8-10-17(11-9-14)23-21(25)12-27-22(26)18-6-4-5-7-20(18)29-13-19-15(2)24-28-16(19)3/h4-11H,12-13H2,1-3H3,(H,23,25)