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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C2=CC=CC=C2)C(=O)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C2=CC=CC=C2)C(=O)N3CCCC3)C

InChI

InChI=1S/C22H23N3O3S/c1-3-28-22(27)18-13-17(14-23)20(24-15(18)2)29-19(16-9-5-4-6-10-16)21(26)25-11-7-8-12-25/h4-6,9-10,13,19H,3,7-8,11-12H2,1-2H3/t19-/m1/s1