[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC(=O)NCC3CCCO3

InChI

InChI=1S/C18H21N3O5S/c1-12-8-13(21-26-12)11-27-17-15(5-2-6-19-17)18(23)25-10-16(22)20-9-14-4-3-7-24-14/h2,5-6,8,14H,3-4,7,9-11H2,1H3,(H,20,22)