[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O5S2/c1-21(14-9-11-28(24,25)13-14)17(22)12-26-19(23)16-8-5-10-20-18(16)27-15-6-3-2-4-7-15/h2-8,10,14H,9,11-13H2,1H3