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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]methyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)-2-pyridyl]thio]methyl]-4-p-cumenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C29H29F3N4O3S MolecularWeight: 570.62577

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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)C(C)C)C(=O)OCC)C#N)C(F)(F)F)C

Isomeric SMILES

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

InChI

InChI=1S/C29H29F3N4O3S/c1-6-21-16(5)25(29(30,31)32)20(13-34)27(36-21)40-14-22-24(28(37)38-7-2)23(19(12-33)26(35)39-22)18-10-8-17(9-11-18)15(3)4/h8-11,15,23H,6-7,14,35H2,1-5H3