(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3-fluoro-4-methoxy-phenyl)acetate CAS Name: 2-(3-fluoro-4-methoxyphenyl)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-fluoro-4-methoxyphenyl)acetate Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H13FN2O4S MolecularWeight: 348.348823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC2=NC(=NO2)C3=CSC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC2=NC(=NO2)C3=CSC=C3)F

InChI

InChI=1S/C16H13FN2O4S/c1-21-13-3-2-10(6-12(13)17)7-15(20)22-8-14-18-16(19-23-14)11-4-5-24-9-11/h2-6,9H,7-8H2,1H3