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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

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