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

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-2-[(3-cyano-6-methyl-pyridin-2-yl)sulfanylmethyl]-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-2-[(3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-[[(3-cyano-6-methyl-2-pyridinyl)thio]methyl]-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-2-[(3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-[[(3-cyano-6-methyl-2-pyridyl)thio]methyl]-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O5S/c1-5-33-25(30)21-19(13-35-24-15(11-26)10-9-14(2)29-24)34-23(28)17(12-27)20(21)16-7-6-8-18(31-3)22(16)32-4/h6-10,20H,5,13,28H2,1-4H3/t20-/m0/s1