ethyl 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: ethyl 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: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C30H31F3N4O3S MolecularWeight: 584.65235

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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)C(C)(C)C)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)C(C)(C)C)C(F)(F)F)C#N

InChI

InChI=1S/C30H31F3N4O3S/c1-7-39-28(38)25-22(40-26(36)20(14-35)24(25)18-10-8-17(9-11-18)16(2)3)15-41-27-19(13-34)21(30(31,32)33)12-23(37-27)29(4,5)6/h8-12,16,24H,7,15,36H2,1-6H3