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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-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-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c1-12-10-15(13(2)26-12)16(22)8-9-18(23)24-11-17-20-19(21-25-17)14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3