ethyl 6-azanyl-5-cyano-2-[[3-cyano-6-cyclopropyl-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-cyclopropyl-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-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[[3-cyano-6-cyclopropyl-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-cyclopropyl-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-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]thio]methyl]-4-p-cumenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C29H27F3N4O3S MolecularWeight: 568.60989

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)C)C#N)N)CSC3=C(C(=CC(=N3)C4CC4)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)C)C#N)N)CSC3=C(C(=CC(=N3)C4CC4)C(F)(F)F)C#N

InChI

InChI=1S/C29H27F3N4O3S/c1-4-38-28(37)25-23(39-26(35)20(13-34)24(25)18-9-5-16(6-10-18)15(2)3)14-40-27-19(12-33)21(29(30,31)32)11-22(36-27)17-7-8-17/h5-6,9-11,15,17,24H,4,7-8,14,35H2,1-3H3