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

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-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-pyrrolidino-ethyl) ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC(C)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC(C)C(=O)N3CCCC3

InChI

InChI=1S/C18H21N3O4S/c1-12-10-14(20-25-12)11-26-16-15(6-5-7-19-16)18(23)24-13(2)17(22)21-8-3-4-9-21/h5-7,10,13H,3-4,8-9,11H2,1-2H3