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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-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=NOC(=N3)C4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NOC(=N3)C4=CSC=C4

InChI

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