(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]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-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4S2/c1-20-12-2-4-13(5-3-12)24-10-15(19)21-8-14-17-16(18-22-14)11-6-7-23-9-11/h2-7,9H,8,10H2,1H3