3-[(5E)-5-[[5-(2-fluoranyl-4-methyl-phenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 3-[(5E)-5-[[5-(2-fluoranyl-4-methyl-phenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]cyclohexane-1-carboxylic acid Openeye Name: 3-[(5E)-5-[[5-(2-fluoro-4-methyl-phenyl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]cyclohexanecarboxylic acid CAS Name: 3-[(5E)-5-[[5-(2-fluoro-4-methylphenyl)-2-furanyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[(5E)-5-[[5-(2-fluoro-4-methylphenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]cyclohexane-1-carboxylic acid Traditional Name: 3-[(5E)-5-[[5-(2-fluoro-4-methyl-phenyl)-2-furyl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]cyclohexanecarboxylic acid Formula: C22H20FNO4S2 MolecularWeight: 445.526903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)C4CCCC(C4)C(=O)O)F

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)C4CCCC(C4)C(=O)O)F

InChI

InChI=1S/C22H20FNO4S2/c1-12-5-7-16(17(23)9-12)18-8-6-15(28-18)11-19-20(25)24(22(29)30-19)14-4-2-3-13(10-14)21(26)27/h5-9,11,13-14H,2-4,10H2,1H3,(H,26,27)/b19-11+