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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)methylsulfanyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridyl)methylsulfanyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)methylthio]-4-(4-fluorophenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)methylsulfanyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridyl)methylthio]-4-(4-fluorophenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C24H21FN4O3S MolecularWeight: 464.511943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)F)C#N)N)SCC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)F)C#N)N)SCC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C24H21FN4O3S/c1-4-31-23(30)21-20(15-5-7-16(25)8-6-15)18(11-27)22(28)32-24(21)33-12-19-17(10-26)13(2)9-14(3)29-19/h5-9,20H,4,12,28H2,1-3H3