ethyl 2-[[4-(3,5-dimethylphenoxy)-5-iodanyl-2-methyl-6-oxidanylidene-1H-pyridin-3-yl]methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-(3,5-dimethylphenoxy)-5-iodanyl-2-methyl-6-oxidanylidene-1H-pyridin-3-yl]methylsulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(3,5-dimethylphenoxy)-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methylsulfanyl]acetate CAS Name: 2-[[4-(3,5-dimethylphenoxy)-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3,5-dimethylphenoxy)-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methylsulfanyl]acetate Traditional Name: 2-[[4-(3,5-dimethylphenoxy)-5-iodo-6-keto-2-methyl-1H-pyridin-3-yl]methylthio]acetic acid ethyl ester Formula: C19H22INO4S MolecularWeight: 487.35175

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=C(NC(=O)C(=C1OC2=CC(=CC(=C2)C)C)I)C

Isomeric SMILES

CCOC(=O)CSCC1=C(NC(=O)C(=C1OC2=CC(=CC(=C2)C)C)I)C

InChI

InChI=1S/C19H22INO4S/c1-5-24-16(22)10-26-9-15-13(4)21-19(23)17(20)18(15)25-14-7-11(2)6-12(3)8-14/h6-8H,5,9-10H2,1-4H3,(H,21,23)