[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C22H18N2O4S/c25-20(23-11-10-17-7-4-12-29-17)14-27-22(26)16-8-9-19-18(13-16)21(28-24-19)15-5-2-1-3-6-15/h1-9,12-13H,10-11,14H2,(H,23,25)