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

Systemtic Name: ethyl 6-azanyl-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-6-pyridin-3-yl-pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-[[3-cyano-6-(3-pyridyl)-2-pyridyl]sulfanylmethyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(4-chlorophenyl)-5-cyano-2-[[[3-cyano-6-(3-pyridinyl)-2-pyridinyl]thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(4-chlorophenyl)-5-cyano-2-[[[3-cyano-6-(3-pyridyl)-2-pyridyl]thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C27H20ClN5O3S MolecularWeight: 529.9974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20ClN5O3S/c1-2-35-27(34)24-22(36-25(31)20(13-30)23(24)16-5-8-19(28)9-6-16)15-37-26-17(12-29)7-10-21(33-26)18-4-3-11-32-14-18/h3-11,14,23H,2,15,31H2,1H3