ethyl 4-(3,5-dimethylphenyl)sulfanyl-5-iodanyl-2-methyl-6-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 4-(3,5-dimethylphenyl)sulfanyl-5-iodanyl-2-methyl-6-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 4-(3,5-dimethylphenyl)sulfanyl-5-iodo-2-methyl-6-oxo-1H-pyridine-3-carboxylate CAS Name: 4-[(3,5-dimethylphenyl)thio]-5-iodo-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,5-dimethylphenyl)sulfanyl-5-iodo-2-methyl-6-oxo-1H-pyridine-3-carboxylate Traditional Name: 4-[(3,5-dimethylphenyl)thio]-5-iodo-6-keto-2-methyl-1H-pyridine-3-carboxylic acid ethyl ester Formula: C17H18INO3S MolecularWeight: 443.29919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C(=C1SC2=CC(=CC(=C2)C)C)I)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)C(=C1SC2=CC(=CC(=C2)C)C)I)C

InChI

InChI=1S/C17H18INO3S/c1-5-22-17(21)13-11(4)19-16(20)14(18)15(13)23-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,19,20)