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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)methylthio]-4-(3,4-dimethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridyl)methylthio]-4-(3,4-dimethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C26H26N4O5S MolecularWeight: 506.57344

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H26N4O5S/c1-6-34-25(31)23-22(16-7-8-20(32-4)21(10-16)33-5)18(12-28)24(29)35-26(23)36-13-19-17(11-27)14(2)9-15(3)30-19/h7-10,22H,6,13,29H2,1-5H3