[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(p-phenetidino)nicotinic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H21N3O4S/c1-2-27-16-9-7-15(8-10-16)24-20-18(6-3-11-22-20)21(26)28-14-19(25)23-13-17-5-4-12-29-17/h3-12H,2,13-14H2,1H3,(H,22,24)(H,23,25)