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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6S/c22-15(19-12-1-2-13-14(7-12)26-10-25-13)8-24-17(23)4-3-16-20-18(21-27-16)11-5-6-28-9-11/h1-2,5-7,9H,3-4,8,10H2,(H,19,22)