[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S/c1-2-13-7-9-14(10-8-13)19-20-17(27-21-19)11-26-18(23)12-28-16-6-4-3-5-15(16)22(24)25/h3-10H,2,11-12H2,1H3