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

Systemtic Name: methyl 2-[2,6-bis(oxidanylidene)cyclohexylidene]-5-ethylsulfanyl-1,3-dithiole-4-carboxylate Openeye Name: methyl 2-(2,6-dioxocyclohexylidene)-5-ethylsulfanyl-1,3-dithiole-4-carboxylate CAS Name: 2-(2,6-dioxocyclohexylidene)-5-(ethylthio)-1,3-dithiole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,6-dioxocyclohexylidene)-5-ethylsulfanyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(2,6-diketocyclohexylidene)-5-(ethylthio)-1,3-dithiole-4-carboxylic acid methyl ester Formula: C13H14O4S3 MolecularWeight: 330.44286

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(SC(=C2C(=O)CCCC2=O)S1)C(=O)OC

Isomeric SMILES

CCSC1=C(SC(=C2C(=O)CCCC2=O)S1)C(=O)OC

InChI

InChI=1S/C13H14O4S3/c1-3-18-13-10(11(16)17-2)19-12(20-13)9-7(14)5-4-6-8(9)15/h3-6H2,1-2H3