(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C17H13N3O6S/c21-15(23-7-14-19-16(20-26-14)11-3-4-27-8-11)6-18-17(22)10-1-2-12-13(5-10)25-9-24-12/h1-5,8H,6-7,9H2,(H,18,22)