[2-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[4-(methanesulfonamido)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(methanesulfonamido)phenyl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[4-(methanesulfonamido)phenyl]ethyl] ester Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C16H16N2O5S2/c1-24-15-13(4-3-9-17-15)16(20)23-10-14(19)11-5-7-12(8-6-11)18-25(2,21)22/h3-9,18H,10H2,1-2H3