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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic 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 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5S/c20-16(4-2-11-1-3-13-14(7-11)23-10-22-13)21-8-15-18-17(19-24-15)12-5-6-25-9-12/h1,3,5-7,9H,2,4,8,10H2