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

Systemtic Name: propan-2-yl (4R)-6-azanyl-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Openeye Name: isopropyl (4R)-6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-4H-pyran-3-carboxylate CAS Name: (4R)-6-amino-4-(2-chlorophenyl)-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4H-pyran-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4R)-6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Traditional Name: (4R)-6-amino-4-(2-chlorophenyl)-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-4H-pyran-3-carboxylic acid isopropyl ester Formula: C25H23ClN4O3S MolecularWeight: 494.99312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3Cl)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=C([C@@H](C(=C(O2)N)C#N)C3=CC=CC=C3Cl)C(=O)OC(C)C)C

InChI

InChI=1S/C25H23ClN4O3S/c1-13(2)32-25(31)22-20(12-34-24-17(10-27)14(3)9-15(4)30-24)33-23(29)18(11-28)21(22)16-7-5-6-8-19(16)26/h5-9,13,21H,12,29H2,1-4H3/t21-/m1/s1