(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic 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 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C15H9ClN2O5S MolecularWeight: 364.76036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9ClN2O5S/c16-10-3-9(4-11-13(10)22-7-21-11)15(19)20-5-12-17-14(18-23-12)8-1-2-24-6-8/h1-4,6H,5,7H2