ethyl 6-azanyl-5-cyano-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C27H28N4O6S MolecularWeight: 536.59942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O6S/c1-7-36-27(32)23-21(13-38-26-17(11-28)14(2)8-15(3)31-26)37-25(30)18(12-29)22(23)16-9-19(33-4)24(35-6)20(10-16)34-5/h8-10,22H,7,13,30H2,1-6H3