(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic 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 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H13N3O4S MolecularWeight: 403.41062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC4=NC(=NO4)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC4=NC(=NO4)C5=CC=CS5

InChI

InChI=1S/C21H13N3O4S/c25-21(26-12-18-22-20(24-27-18)17-7-4-10-29-17)14-8-9-16-15(11-14)19(28-23-16)13-5-2-1-3-6-13/h1-11H,12H2