(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic 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-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O4S/c24-20(26-13-18-22-19(23-27-18)15-11-12-28-14-15)21(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,14,25H,13H2