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

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-[[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]methyl]-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-[[(3-cyano-6-ethyl-5-methyl-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:

CCC1=C(C=C(C(=N1)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C(=O)OCC)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC2=C([C@H](C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C(=O)OCC)C#N)C

InChI

InChI=1S/C26H26N4O3S2/c1-5-20-15(3)11-17(12-27)25(30-20)35-14-21-23(26(31)32-6-2)22(19(13-28)24(29)33-21)16-7-9-18(34-4)10-8-16/h7-11,22H,5-6,14,29H2,1-4H3/t22-/m0/s1