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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)CCC(=O)C3=CC=CS3

InChI

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