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

Systemtic Name: ethyl 6-azanyl-4-(2-bromanyl-4-methoxy-phenyl)-5-cyano-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(2-bromo-4-methoxy-phenyl)-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(2-bromo-4-methoxyphenyl)-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(2-bromo-4-methoxyphenyl)-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(2-bromo-4-methoxy-phenyl)-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-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)Br)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=C(C=C(C=C2)OC)Br)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N

InChI

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