ethyl (3R,4R)-2-azanylidene-3-cyano-6-[(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylmethyl]-4-phenyl-3,4-dihydrothiopyran-5-carboxylate

Systemtic Name: ethyl (3R,4R)-2-azanylidene-3-cyano-6-[(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylmethyl]-4-phenyl-3,4-dihydrothiopyran-5-carboxylate Openeye Name: ethyl (3R,4R)-3-cyano-6-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)sulfanylmethyl]-2-imino-4-phenyl-3,4-dihydrothiopyran-5-carboxylate CAS Name: (3R,4R)-3-cyano-6-[[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]methyl]-2-imino-4-phenyl-3,4-dihydrothiopyran-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-3-cyano-6-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylmethyl]-2-imino-4-phenyl-3,4-dihydrothiopyran-5-carboxylate Traditional Name: (3R,4R)-3-cyano-6-[[(3-cyano-6-ethyl-5-methyl-2-pyridyl)thio]methyl]-2-imino-4-phenyl-3,4-dihydrothiopyran-5-carboxylic acid ethyl ester Formula: C25H24N4O2S2 MolecularWeight: 476.61366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC2=C(C(C(C(=N)S2)C#N)C3=CC=CC=C3)C(=O)OCC)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC2=C([C@H]([C@@H](C(=N)S2)C#N)C3=CC=CC=C3)C(=O)OCC)C#N)C

InChI

InChI=1S/C25H24N4O2S2/c1-4-19-15(3)11-17(12-26)24(29-19)32-14-20-22(25(30)31-5-2)21(16-9-7-6-8-10-16)18(13-27)23(28)33-20/h6-11,18,21,28H,4-5,14H2,1-3H3/t18-,21-/m0/s1