ethyl 6-azanyl-5-cyano-2-[[3-cyano-6-phenyl-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-phenyl-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-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[[3-cyano-6-phenyl-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-phenyl-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-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]methyl]-4-p-cumenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C32H27F3N4O3S MolecularWeight: 604.64199

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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)C4=CC=CC=C4)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)C4=CC=CC=C4)C(F)(F)F)C#N

InChI

InChI=1S/C32H27F3N4O3S/c1-4-41-31(40)28-26(42-29(38)23(16-37)27(28)21-12-10-19(11-13-21)18(2)3)17-43-30-22(15-36)24(32(33,34)35)14-25(39-30)20-8-6-5-7-9-20/h5-14,18,27H,4,17,38H2,1-3H3