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

Systemtic Name: [1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-1-methyl-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [1-[(1,1-dioxo-3-thiolanyl)-ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[(1,1-diketothiolan-3-yl)-ethyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S2/c1-3-23(16-11-13-30(26,27)14-16)20(24)15(2)28-21(25)18-10-7-12-22-19(18)29-17-8-5-4-6-9-17/h4-10,12,15-16H,3,11,13-14H2,1-2H3