(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(3,4-dimethylphenyl)ethanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)OCC2=NC(=NO2)C3=CSC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)OCC2=NC(=NO2)C3=CSC=C3)C

InChI

InChI=1S/C17H16N2O3S/c1-11-3-4-13(7-12(11)2)8-16(20)21-9-15-18-17(19-22-15)14-5-6-23-10-14/h3-7,10H,8-9H2,1-2H3