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

Systemtic Name: methyl 2-[2,6-bis(oxidanylidene)-4-phenyl-cyclohexylidene]-5-phenethylsulfanyl-1,3-dithiole-4-carboxylate Openeye Name: methyl 2-(2,6-dioxo-4-phenyl-cyclohexylidene)-5-phenethylsulfanyl-1,3-dithiole-4-carboxylate CAS Name: 2-(2,6-dioxo-4-phenylcyclohexylidene)-5-(phenethylthio)-1,3-dithiole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,6-dioxo-4-phenylcyclohexylidene)-5-phenethylsulfanyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(2,6-diketo-4-phenyl-cyclohexylidene)-5-(phenethylthio)-1,3-dithiole-4-carboxylic acid methyl ester Formula: C25H22O4S3 MolecularWeight: 482.63478

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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)SCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C2C(=O)CC(CC2=O)C3=CC=CC=C3)S1)SCCC4=CC=CC=C4

InChI

InChI=1S/C25H22O4S3/c1-29-23(28)22-25(30-13-12-16-8-4-2-5-9-16)32-24(31-22)21-19(26)14-18(15-20(21)27)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3