4-[(5E)-5-[(4-octoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[(5E)-5-[(4-octoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-[(4-octoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-4-keto-5-(4-octoxybenzylidene)-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C22H29NO4S2 MolecularWeight: 435.59996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O

InChI

InChI=1S/C22H29NO4S2/c1-2-3-4-5-6-7-15-27-18-12-10-17(11-13-18)16-19-21(26)23(22(28)29-19)14-8-9-20(24)25/h10-13,16H,2-9,14-15H2,1H3,(H,24,25)/b19-16+