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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H16N2O4S MolecularWeight: 392.42774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H16N2O4S/c24-19(22-12-16-7-4-10-28-16)13-26-21(25)15-8-9-18-17(11-15)20(27-23-18)14-5-2-1-3-6-14/h1-11H,12-13H2,(H,22,24)