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

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

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@H]1C2=CC(=C(C=C2)OC)OC)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C26H26N4O5S/c1-6-34-26(31)23-21(13-36-25-17(11-27)14(2)9-15(3)30-25)35-24(29)18(12-28)22(23)16-7-8-19(32-4)20(10-16)33-5/h7-10,22H,6,13,29H2,1-5H3/t22-/m1/s1