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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyanilino)pyridine-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-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-(4-ethoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(p-phenetidino)nicotinic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C21H18N4O4S/c1-2-27-16-7-5-15(6-8-16)23-20-17(4-3-10-22-20)21(26)28-12-18-24-19(25-29-18)14-9-11-30-13-14/h3-11,13H,2,12H2,1H3,(H,22,23)