[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)CCC2=NC(=NO2)C3=CSC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)CCC2=NC(=NO2)C3=CSC=C3)C

InChI

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