(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2,4,6-trimethylphenoxy)ethanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2,4,6-trimethylphenoxy)ethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,4,6-trimethylphenoxy)acetate CAS Name: 2-(2,4,6-trimethylphenoxy)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-(2,4,6-trimethylphenoxy)acetate Traditional Name: 2-(2,4,6-trimethylphenoxy)acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-11-6-12(2)17(13(3)7-11)23-9-16(21)22-8-15-19-18(20-24-15)14-4-5-25-10-14/h4-7,10H,8-9H2,1-3H3