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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[(1,1-diketothiolan-3-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S2/c1-2-22(15-10-12-29(25,26)14-15)18(23)13-27-20(24)17-9-6-11-21-19(17)28-16-7-4-3-5-8-16/h3-9,11,15H,2,10,12-14H2,1H3