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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C22H16N2O4S/c1-14-8-10-15(11-9-14)20(25)16-5-2-3-6-17(16)22(26)27-13-19-23-21(24-28-19)18-7-4-12-29-18/h2-12H,13H2,1H3