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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C18H14N2O6S/c21-13(11-1-2-14-15(7-11)25-10-24-14)8-23-17(22)4-3-16-19-18(20-26-16)12-5-6-27-9-12/h1-2,5-7,9H,3-4,8,10H2