ethyl 4,5-bis(oxidanylidene)-3-pyridin-4-ylsulfanyl-2-(pyridin-4-ylsulfanylmethyl)oxolane-2-carboxylate

Systemtic Name: ethyl 4,5-bis(oxidanylidene)-3-pyridin-4-ylsulfanyl-2-(pyridin-4-ylsulfanylmethyl)oxolane-2-carboxylate Openeye Name: ethyl 4,5-dioxo-3-(4-pyridylsulfanyl)-2-(4-pyridylsulfanylmethyl)tetrahydrofuran-2-carboxylate CAS Name: 4,5-dioxo-3-(pyridin-4-ylthio)-2-[(pyridin-4-ylthio)methyl]-2-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dioxo-3-pyridin-4-ylsulfanyl-2-(pyridin-4-ylsulfanylmethyl)oxolane-2-carboxylate Traditional Name: 4,5-diketo-3-(4-pyridylthio)-2-[(4-pyridylthio)methyl]tetrahydrofuran-2-carboxylic acid ethyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(=O)C(=O)O1)SC2=CC=NC=C2)CSC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1(C(C(=O)C(=O)O1)SC2=CC=NC=C2)CSC3=CC=NC=C3

InChI

InChI=1S/C18H16N2O5S2/c1-2-24-17(23)18(11-26-12-3-7-19-8-4-12)15(14(21)16(22)25-18)27-13-5-9-20-10-6-13/h3-10,15H,2,11H2,1H3