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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=C(C(=CC(=N3)C(C)(C)C)C(F)(F)F)C#N)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=C(C(=CC(=N3)C(C)(C)C)C(F)(F)F)C#N)N)C#N

InChI

InChI=1S/C29H29F3N4O3S/c1-15(2)16-7-9-17(10-8-16)23-19(13-34)25(35)39-21(24(23)27(37)38-6)14-40-26-18(12-33)20(29(30,31)32)11-22(36-26)28(3,4)5/h7-11,15,23H,14,35H2,1-6H3