(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-cyclopentanecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NOC(=N4)C5=CSC=C5

Isomeric SMILES

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NOC(=N4)C5=CSC=C5

InChI

InChI=1S/C21H20N2O5S/c24-20(27-12-18-22-19(28-23-18)14-5-10-29-13-14)21(6-1-2-7-21)15-3-4-16-17(11-15)26-9-8-25-16/h3-5,10-11,13H,1-2,6-9,12H2