[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-[(2-methoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-[(2-methoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate CAS Name: 2-(2-methoxyanilino)-3-pyridinecarboxylic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(o-anisidino)nicotinic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)OCC(=O)NC(=O)NCCC3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)OCC(=O)NC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C22H22N4O5S/c1-30-18-9-3-2-8-17(18)25-20-16(7-4-11-23-20)21(28)31-14-19(27)26-22(29)24-12-10-15-6-5-13-32-15/h2-9,11,13H,10,12,14H2,1H3,(H,23,25)(H2,24,26,27,29)