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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C

InChI

InChI=1S/C21H20N2O4S/c1-3-15-8-10-16(11-9-15)18(24)12-26-21(25)17-6-4-5-7-19(17)28-13-20-22-14(2)23-27-20/h4-11H,3,12-13H2,1-2H3