(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid (3-phenyl-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=C(S1)C(=O)CCC(=O)OCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC(=NO2)C3=CC=CC=C3

InChI

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