ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

InChI=1S/C22H25N3O3S/c1-4-9-19(16-10-7-6-8-11-16)25-20(26)14-29-21-17(13-23)12-18(15(3)24-21)22(27)28-5-2/h6-8,10-12,19H,4-5,9,14H2,1-3H3,(H,25,26)/t19-/m1/s1