[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 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-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 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-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S/c1-11-4-5-12(9-13(11)21(24)25)14(22)10-26-17(23)7-6-16-19-18(20-27-16)15-3-2-8-28-15/h2-5,8-9H,6-7,10H2,1H3