[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C15H13IN2O3S MolecularWeight: 428.24479

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C15H13IN2O3S/c1-22-14-12(6-3-7-17-14)15(20)21-9-13(19)18-11-5-2-4-10(16)8-11/h2-8H,9H2,1H3,(H,18,19)