(2-methoxy-5-nitro-phenyl)methyl 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C17H15N3O6S/c1-24-13-5-4-12(20(22)23)9-11(13)10-25-16(21)7-6-15-18-17(19-26-15)14-3-2-8-27-14/h2-5,8-9H,6-7,10H2,1H3