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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-phenyl-pyridin-2-yl)sulfanylmethyl]-4-thiophen-2-yl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridyl)sulfanylmethyl]-4-(2-thienyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-phenyl-2-pyridinyl)thio]methyl]-4-thiophen-2-yl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenylpyridin-2-yl)sulfanylmethyl]-4-thiophen-2-yl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-6-phenyl-2-pyridyl)thio]methyl]-4-(2-thienyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C26H20N4O3S2 MolecularWeight: 500.592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H20N4O3S2/c1-2-32-26(31)23-20(33-24(29)18(14-28)22(23)21-9-6-12-34-21)15-35-25-17(13-27)10-11-19(30-25)16-7-4-3-5-8-16/h3-12,22H,2,15,29H2,1H3