2-[3-[3-(2-iodanylphenyl)sulfanylphenyl]-5-(3-methoxycarbonyl-5-methyl-phenyl)-4-oxidanylidene-pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[3-(2-iodanylphenyl)sulfanylphenyl]-5-(3-methoxycarbonyl-5-methyl-phenyl)-4-oxidanylidene-pyridin-1-yl]ethanoic acid Openeye Name: 2-[3-[3-(2-iodophenyl)sulfanylphenyl]-5-(3-methoxycarbonyl-5-methyl-phenyl)-4-oxo-1-pyridyl]acetic acid CAS Name: 2-[3-[3-[(2-iodophenyl)thio]phenyl]-5-(3-methoxycarbonyl-5-methylphenyl)-4-oxo-1-pyridinyl]acetic acid IUPAC Name: 2-[3-[3-(2-iodophenyl)sulfanylphenyl]-5-(3-methoxycarbonyl-5-methylphenyl)-4-oxopyridin-1-yl]acetic acid Traditional Name: 2-[3-(3-carbomethoxy-5-methyl-phenyl)-5-[3-[(2-iodophenyl)thio]phenyl]-4-keto-1-pyridyl]acetic acid Formula: C28H22INO5S MolecularWeight: 611.44745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC)C2=CN(C=C(C2=O)C3=CC(=CC=C3)SC4=CC=CC=C4I)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC)C2=CN(C=C(C2=O)C3=CC(=CC=C3)SC4=CC=CC=C4I)CC(=O)O

InChI

InChI=1S/C28H22INO5S/c1-17-10-19(12-20(11-17)28(34)35-2)23-15-30(16-26(31)32)14-22(27(23)33)18-6-5-7-21(13-18)36-25-9-4-3-8-24(25)29/h3-15H,16H2,1-2H3,(H,31,32)