[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=NOC(=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=NOC(=C3)C)C

InChI

InChI=1S/C22H21NO4S/c1-14-8-9-17(10-15(14)2)20(24)12-26-22(25)19-6-4-5-7-21(19)28-13-18-11-16(3)27-23-18/h4-11H,12-13H2,1-3H3