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

Systemtic Name: ethyl (4R)-6-azanyl-2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-pyridin-2-yl]sulfanylmethyl]-5-cyano-4-pyridin-3-yl-4H-pyran-3-carboxylate Openeye Name: ethyl (4R)-6-amino-2-[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridyl]sulfanylmethyl]-5-cyano-4-(3-pyridyl)-4H-pyran-3-carboxylate CAS Name: (4R)-6-amino-2-[[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]thio]methyl]-5-cyano-4-(3-pyridinyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-amino-2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-ylpyridin-2-yl]sulfanylmethyl]-5-cyano-4-pyridin-3-yl-4H-pyran-3-carboxylate Traditional Name: (4R)-6-amino-2-[[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridyl]thio]methyl]-5-cyano-4-(3-pyridyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C31H22ClN5O3S2 MolecularWeight: 612.12108

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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=CS4)C5=CC=C(C=C5)Cl)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=CS4)C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C31H22ClN5O3S2/c1-2-39-31(38)28-25(40-29(35)23(15-34)27(28)19-5-3-11-36-16-19)17-42-30-22(14-33)21(18-7-9-20(32)10-8-18)13-24(37-30)26-6-4-12-41-26/h3-13,16,27H,2,17,35H2,1H3/t27-/m1/s1