(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-methoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-methoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-methoxyanilino)pyridine-3-carboxylate CAS Name: 2-(2-methoxyanilino)-3-pyridinecarboxylic 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-(2-methoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(o-anisidino)nicotinic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H16N4O4S MolecularWeight: 408.43044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C20H16N4O4S/c1-26-16-7-3-2-6-15(16)22-19-14(5-4-9-21-19)20(25)27-11-17-23-18(24-28-17)13-8-10-29-12-13/h2-10,12H,11H2,1H3,(H,21,22)