methyl 5-[[4-(2-quinoxalin-2-ylsulfanylethanoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate

Systemtic Name: methyl 5-[[4-(2-quinoxalin-2-ylsulfanylethanoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate Openeye Name: methyl 5-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate CAS Name: 5-[[4-[1-oxo-2-(2-quinoxalinylthio)ethyl]-2-morpholinyl]methoxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate Traditional Name: 5-[[4-[2-(quinoxalin-2-ylthio)acetyl]morpholin-2-yl]methoxy]nicotinic acid methyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

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