1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1,3-benzodioxole-5-carboxylate Openeye Name: 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H12N2O5S/c1-9(14-17-18-15(23-14)13-3-2-6-24-13)22-16(19)10-4-5-11-12(7-10)21-8-20-11/h2-7,9H,8H2,1H3