(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic 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 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H13ClN2O4S MolecularWeight: 424.85692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C21H13ClN2O4S/c22-15-7-5-13(6-8-15)19(25)16-3-1-2-4-17(16)21(26)27-11-18-23-20(24-28-18)14-9-10-29-12-14/h1-10,12H,11H2