propan-2-yl 6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(3-iodanylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: propan-2-yl 6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(3-iodanylphenyl)-4H-pyran-3-carboxylate Openeye Name: isopropyl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]-4-(3-iodophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-4-(3-iodophenyl)-4H-pyran-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-4-(3-iodophenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]-4-(3-iodophenyl)-4H-pyran-3-carboxylic acid isopropyl ester Formula: C26H25IN4O3S MolecularWeight: 600.47117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)I)C(=O)OC(C)C)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)I)C(=O)OC(C)C)C

InChI

InChI=1S/C26H25IN4O3S/c1-13(2)33-26(32)23-21(12-35-25-19(10-28)15(4)14(3)16(5)31-25)34-24(30)20(11-29)22(23)17-7-6-8-18(27)9-17/h6-9,13,22H,12,30H2,1-5H3