(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC(C)C(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC(C)C(=O)N3CCOCC3

InChI

InChI=1S/C18H21N3O5S/c1-12-10-14(20-26-12)11-27-16-15(4-3-5-19-16)18(23)25-13(2)17(22)21-6-8-24-9-7-21/h3-5,10,13H,6-9,11H2,1-2H3