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

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-2-[(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]sulfanylmethyl]-4-(3-pyridyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-[[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]methyl]-4-(3-pyridinyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-2-[(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-[[[3-cyano-6-(4-pyridyl)-2-pyridyl]thio]methyl]-4-(3-pyridyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C26H20N6O3S MolecularWeight: 496.5404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CN=CC=C2)C#N)N)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N

InChI

InChI=1S/C26H20N6O3S/c1-2-34-26(33)23-21(35-24(29)19(13-28)22(23)18-4-3-9-31-14-18)15-36-25-17(12-27)5-6-20(32-25)16-7-10-30-11-8-16/h3-11,14,22H,2,15,29H2,1H3/t22-/m0/s1