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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CS3)C

InChI

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