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

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] 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-(4-propylphenyl)ethyl] ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

InChI

InChI=1S/C24H25NO4S/c1-4-7-18-10-12-19(13-11-18)22(26)14-28-24(27)20-8-5-6-9-23(20)30-15-21-16(2)25-29-17(21)3/h5-6,8-13H,4,7,14-15H2,1-3H3