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

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CC=C3SCC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CC=C3SCC(=O)C

InChI

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