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

Systemtic Name: ethyl (4R)-2-azanylidene-3-cyano-6-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-(2-iodanylphenyl)-3,4-dihydrothiopyran-5-carboxylate Openeye Name: ethyl (4R)-3-cyano-6-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-2-imino-4-(2-iodophenyl)-3,4-dihydrothiopyran-5-carboxylate CAS Name: (4R)-3-cyano-6-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-2-imino-4-(2-iodophenyl)-3,4-dihydrothiopyran-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-3-cyano-6-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-2-imino-4-(2-iodophenyl)-3,4-dihydrothiopyran-5-carboxylate Traditional Name: (4R)-3-cyano-6-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-2-imino-4-(2-iodophenyl)-3,4-dihydrothiopyran-5-carboxylic acid ethyl ester Formula: C24H21IN4O2S2 MolecularWeight: 588.48361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N)C(C1C2=CC=CC=C2I)C#N)CSC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=N)C([C@H]1C2=CC=CC=C2I)C#N)CSC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C24H21IN4O2S2/c1-4-31-24(30)21-19(12-32-23-16(10-26)13(2)9-14(3)29-23)33-22(28)17(11-27)20(21)15-7-5-6-8-18(15)25/h5-9,17,20,28H,4,12H2,1-3H3/t17?,20-/m1/s1