ethyl 5-cyano-6-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

InChI=1S/C22H25N3O3S/c1-5-16-7-9-17(10-8-16)14(3)24-20(26)13-29-21-18(12-23)11-19(15(4)25-21)22(27)28-6-2/h7-11,14H,5-6,13H2,1-4H3,(H,24,26)/t14-/m0/s1