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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-phenyl-pyridin-2-yl)sulfanylmethyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridyl)sulfanylmethyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-phenyl-2-pyridinyl)thio]methyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenylpyridin-2-yl)sulfanylmethyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-6-phenyl-2-pyridyl)thio]methyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C28H21FN4O3S MolecularWeight: 512.554743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C28H21FN4O3S/c1-2-35-28(34)25-23(36-26(32)20(15-31)24(25)19-10-6-7-11-21(19)29)16-37-27-18(14-30)12-13-22(33-27)17-8-4-3-5-9-17/h3-13,24H,2,16,32H2,1H3