ethyl 5-cyano-2-methyl-6-[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)N2CCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)N2CCCC2)C

InChI

InChI=1S/C17H21N3O3S/c1-4-23-17(22)14-9-13(10-18)15(19-11(14)2)24-12(3)16(21)20-7-5-6-8-20/h9,12H,4-8H2,1-3H3/t12-/m1/s1