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

Systemtic Name: ethyl 5-cyano-6-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=NN2C3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=NN2C3CCCC3)C

InChI

InChI=1S/C20H23N5O3S/c1-3-28-20(27)16-10-14(11-21)19(23-13(16)2)29-12-18(26)24-17-8-9-22-25(17)15-6-4-5-7-15/h8-10,15H,3-7,12H2,1-2H3,(H,24,26)