ethyl 6-[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

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