methyl 2-[2,6-bis(oxidanylidene)-4-phenyl-cyclohexylidene]-5-(pyridin-2-ylmethylsulfanyl)-1,3-dithiole-4-carboxylate

Systemtic Name: methyl 2-[2,6-bis(oxidanylidene)-4-phenyl-cyclohexylidene]-5-(pyridin-2-ylmethylsulfanyl)-1,3-dithiole-4-carboxylate Openeye Name: methyl 2-(2,6-dioxo-4-phenyl-cyclohexylidene)-5-(2-pyridylmethylsulfanyl)-1,3-dithiole-4-carboxylate CAS Name: 2-(2,6-dioxo-4-phenylcyclohexylidene)-5-(2-pyridinylmethylthio)-1,3-dithiole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,6-dioxo-4-phenylcyclohexylidene)-5-(pyridin-2-ylmethylsulfanyl)-1,3-dithiole-4-carboxylate Traditional Name: 2-(2,6-diketo-4-phenyl-cyclohexylidene)-5-(2-pyridylmethylthio)-1,3-dithiole-4-carboxylic acid methyl ester Formula: C23H19NO4S3 MolecularWeight: 469.59626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C2C(=O)CC(CC2=O)C3=CC=CC=C3)S1)SCC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=C(SC(=C2C(=O)CC(CC2=O)C3=CC=CC=C3)S1)SCC4=CC=CC=N4

InChI

InChI=1S/C23H19NO4S3/c1-28-21(27)20-23(29-13-16-9-5-6-10-24-16)31-22(30-20)19-17(25)11-15(12-18(19)26)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3