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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-thiophen-2-yl-pyridin-2-yl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[[3-cyano-6-(2-thienyl)-2-pyridyl]sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-thiophen-2-yl-2-pyridinyl)thio]methyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[[3-cyano-6-(2-thienyl)-2-pyridyl]thio]methyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C26H19FN4O3S2 MolecularWeight: 518.582463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)F)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CS4)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)F)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CS4)C#N

InChI

InChI=1S/C26H19FN4O3S2/c1-2-33-26(32)23-20(34-24(30)18(13-29)22(23)15-5-3-6-17(27)11-15)14-36-25-16(12-28)8-9-19(31-25)21-7-4-10-35-21/h3-11,22H,2,14,30H2,1H3