[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H16N2O4S/c1-12-5-2-3-6-13(12)18-19-16(24-20-18)11-23-17(22)9-8-14(21)15-7-4-10-25-15/h2-7,10H,8-9,11H2,1H3