ethyl (4R)-6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4R)-6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4R)-6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate CAS Name: (4R)-6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Traditional Name: (4R)-6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)SC)C#N)N)CSC3=NC(=C(C(=C3C#N)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@H]1C2=CC=C(C=C2)SC)C#N)N)CSC3=NC(=C(C(=C3C#N)C)C)C

InChI

InChI=1S/C26H26N4O3S2/c1-6-32-26(31)23-21(13-35-25-19(11-27)15(3)14(2)16(4)30-25)33-24(29)20(12-28)22(23)17-7-9-18(34-5)10-8-17/h7-10,22H,6,13,29H2,1-5H3/t22-/m1/s1