methyl 5-[[4-[3-(acetamidomethylsulfanyl)propanoyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate

Systemtic Name: methyl 5-[[4-[3-(acetamidomethylsulfanyl)propanoyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate Openeye Name: methyl 5-[[4-[3-(acetamidomethylsulfanyl)propanoyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate CAS Name: 5-[[4-[3-(acetamidomethylthio)-1-oxopropyl]-2-morpholinyl]methoxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[3-(acetamidomethylsulfanyl)propanoyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate Traditional Name: 5-[[4-[3-(acetamidomethylthio)propanoyl]morpholin-2-yl]methoxy]nicotinic acid methyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCCC(=O)N1CCOC(C1)COC2=CN=CC(=C2)C(=O)OC

Isomeric SMILES

CC(=O)NCSCCC(=O)N1CCOC(C1)COC2=CN=CC(=C2)C(=O)OC

InChI

InChI=1S/C18H25N3O6S/c1-13(22)20-12-28-6-3-17(23)21-4-5-26-16(10-21)11-27-15-7-14(8-19-9-15)18(24)25-2/h7-9,16H,3-6,10-12H2,1-2H3,(H,20,22)