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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)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-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C15H11N3O5S2 MolecularWeight: 377.39494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)OCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)OCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C15H11N3O5S2/c19-14(9-25-12-3-1-11(2-4-12)18(20)21)22-7-13-16-15(17-23-13)10-5-6-24-8-10/h1-6,8H,7,9H2