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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[[(1-methyl-2-imidazolyl)-phenylmethyl]amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC(C2=CC=CC=C2)C3=NC=CN3C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC(C2=CC=CC=C2)C3=NC=CN3C)C

InChI

InChI=1S/C23H23N5O3S/c1-4-31-23(30)18-12-17(13-24)22(26-15(18)2)32-14-19(29)27-20(16-8-6-5-7-9-16)21-25-10-11-28(21)3/h5-12,20H,4,14H2,1-3H3,(H,27,29)