methyl 3-[5-[3-(2-iodanylphenyl)sulfanylphenyl]-1-methyl-4-oxidanylidene-pyridin-3-yl]-5-methyl-benzoate

Systemtic Name: methyl 3-[5-[3-(2-iodanylphenyl)sulfanylphenyl]-1-methyl-4-oxidanylidene-pyridin-3-yl]-5-methyl-benzoate Openeye Name: methyl 3-[5-[3-(2-iodophenyl)sulfanylphenyl]-1-methyl-4-oxo-3-pyridyl]-5-methyl-benzoate CAS Name: 3-[5-[3-[(2-iodophenyl)thio]phenyl]-1-methyl-4-oxo-3-pyridinyl]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[5-[3-(2-iodophenyl)sulfanylphenyl]-1-methyl-4-oxopyridin-3-yl]-5-methylbenzoate Traditional Name: 3-[5-[3-[(2-iodophenyl)thio]phenyl]-4-keto-1-methyl-3-pyridyl]-5-methyl-benzoic acid methyl ester Formula: C27H22INO3S MolecularWeight: 567.43795

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H22INO3S/c1-17-11-19(13-20(12-17)27(31)32-3)23-16-29(2)15-22(26(23)30)18-7-6-8-21(14-18)33-25-10-5-4-9-24(25)28/h4-16H,1-3H3