ethyl 6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H23FN4O3S MolecularWeight: 478.538523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)F)C#N)N)CSC3=NC(=C(C(=C3C#N)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)F)C#N)N)CSC3=NC(=C(C(=C3C#N)C)C)C

InChI

InChI=1S/C25H23FN4O3S/c1-5-32-25(31)22-20(12-34-24-18(10-27)14(3)13(2)15(4)30-24)33-23(29)19(11-28)21(22)16-7-6-8-17(26)9-16/h6-9,21H,5,12,29H2,1-4H3