[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=NOC(=C3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=NOC(=C3)C

InChI

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