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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylmethyl]-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(3-benzyloxyphenyl)-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)sulfanylmethyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]methyl]-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylmethyl]-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-benzoxyphenyl)-5-cyano-2-[[(3-cyano-6-ethyl-5-methyl-2-pyridyl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C32H30N4O4S MolecularWeight: 566.67

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OCC)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OCC)C#N)C

InChI

InChI=1S/C32H30N4O4S/c1-4-26-20(3)14-23(16-33)31(36-26)41-19-27-29(32(37)38-5-2)28(25(17-34)30(35)40-27)22-12-9-13-24(15-22)39-18-21-10-7-6-8-11-21/h6-15,28H,4-5,18-19,35H2,1-3H3