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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-phenyl-pyridin-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridyl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-phenyl-2-pyridinyl)thio]methyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenylpyridin-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-6-phenyl-2-pyridyl)thio]methyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C29H24N4O4S MolecularWeight: 524.59026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N4O4S/c1-3-36-29(34)26-24(37-27(32)22(16-31)25(26)19-9-12-21(35-2)13-10-19)17-38-28-20(15-30)11-14-23(33-28)18-7-5-4-6-8-18/h4-14,25H,3,17,32H2,1-2H3