ethyl 6-azanyl-2-[(4-bromanyl-3-cyano-6-methyl-pyridin-2-yl)methylsulfanyl]-5-cyano-4-(4-methoxy-2-methyl-phenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-2-[(4-bromanyl-3-cyano-6-methyl-pyridin-2-yl)methylsulfanyl]-5-cyano-4-(4-methoxy-2-methyl-phenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-2-[(4-bromo-3-cyano-6-methyl-2-pyridyl)methylsulfanyl]-5-cyano-4-(4-methoxy-2-methyl-phenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-2-[(4-bromo-3-cyano-6-methyl-2-pyridinyl)methylthio]-5-cyano-4-(4-methoxy-2-methylphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-[(4-bromo-3-cyano-6-methylpyridin-2-yl)methylsulfanyl]-5-cyano-4-(4-methoxy-2-methylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-2-[(4-bromo-3-cyano-6-methyl-2-pyridyl)methylthio]-5-cyano-4-(4-methoxy-2-methyl-phenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H23BrN4O4S MolecularWeight: 555.44352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN4O4S/c1-5-33-24(31)22-21(16-7-6-15(32-4)8-13(16)2)18(11-28)23(29)34-25(22)35-12-20-17(10-27)19(26)9-14(3)30-20/h6-9,21H,5,12,29H2,1-4H3