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

Systemtic Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18N2O5S/c1-13(23)12-28-17-6-4-3-5-16(17)20(24)26-11-18-21-19(22-27-18)14-7-9-15(25-2)10-8-14/h3-10H,11-12H2,1-2H3