methyl (3S)-3-[(1S,3E)-3-(butylsulfanylmethylidene)-1-methyl-2-oxidanylidene-cyclopentyl]-2-phenylsulfanyl-butanoate

Systemtic Name: methyl (3S)-3-[(1S,3E)-3-(butylsulfanylmethylidene)-1-methyl-2-oxidanylidene-cyclopentyl]-2-phenylsulfanyl-butanoate Openeye Name: methyl (3S)-3-[(1S,3E)-3-(butylsulfanylmethylene)-1-methyl-2-oxo-cyclopentyl]-2-phenylsulfanyl-butanoate CAS Name: (3S)-3-[(1S,3E)-3-[(butylthio)methylidene]-1-methyl-2-oxocyclopentyl]-2-(phenylthio)butanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(1S,3E)-3-(butylsulfanylmethylidene)-1-methyl-2-oxocyclopentyl]-2-phenylsulfanylbutanoate Traditional Name: (3S)-3-[(1S,3E)-3-[(butylthio)methylene]-2-keto-1-methyl-cyclopentyl]-2-(phenylthio)butyric acid methyl ester Formula: C22H30O3S2 MolecularWeight: 406.6018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC=C1CCC(C1=O)(C)C(C)C(C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCCCS/C=C/1\CC[C@@](C1=O)(C)[C@H](C)C(C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C22H30O3S2/c1-5-6-14-26-15-17-12-13-22(3,20(17)23)16(2)19(21(24)25-4)27-18-10-8-7-9-11-18/h7-11,15-16,19H,5-6,12-14H2,1-4H3/b17-15+/t16-,19?,22+/m1/s1