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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylmethyl]-4-(2-iodanylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)sulfanylmethyl]-4-(2-iodophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]methyl]-4-(2-iodophenyl)-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-(2-iodophenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-6-ethyl-5-methyl-2-pyridyl)thio]methyl]-4-(2-iodophenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H23IN4O3S MolecularWeight: 586.44459

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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=C3I)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=C3I)C(=O)OCC)C#N)C

InChI

InChI=1S/C25H23IN4O3S/c1-4-19-14(3)10-15(11-27)24(30-19)34-13-20-22(25(31)32-5-2)21(17(12-28)23(29)33-20)16-8-6-7-9-18(16)26/h6-10,21H,4-5,13,29H2,1-3H3