ethyl 2-[[(2-ethoxy-2-oxidanylidene-ethyl)-(4-methylphenyl)sulfonyl-amino]methyl]-5-iodanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[[(2-ethoxy-2-oxidanylidene-ethyl)-(4-methylphenyl)sulfonyl-amino]methyl]-5-iodanyl-pyridine-3-carboxylate Openeye Name: ethyl 2-[[(2-ethoxy-2-oxo-ethyl)-(p-tolylsulfonyl)amino]methyl]-5-iodo-pyridine-3-carboxylate CAS Name: 2-[[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]methyl]-5-iodo-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]methyl]-5-iodopyridine-3-carboxylate Traditional Name: 2-[[(2-ethoxy-2-keto-ethyl)-tosyl-amino]methyl]-5-iodo-nicotinic acid ethyl ester Formula: C20H23IN2O6S MolecularWeight: 546.37589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=NC=C(C=C1C(=O)OCC)I)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CN(CC1=NC=C(C=C1C(=O)OCC)I)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H23IN2O6S/c1-4-28-19(24)13-23(30(26,27)16-8-6-14(3)7-9-16)12-18-17(20(25)29-5-2)10-15(21)11-22-18/h6-11H,4-5,12-13H2,1-3H3