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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic 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 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H9ClN2O4S MolecularWeight: 360.77166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C=C(O2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CC2=C(C=C1Cl)C=C(O2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C16H9ClN2O4S/c17-11-1-2-12-10(5-11)6-13(22-12)16(20)21-7-14-18-15(19-23-14)9-3-4-24-8-9/h1-6,8H,7H2