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

Systemtic Name: 2-[(5E)-5-[(3-methoxy-4-octoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 2-[(5E)-5-[(3-methoxy-4-octoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 2-[(5E)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 2-[(5E)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 2-[(5E)-4-keto-5-(3-methoxy-4-octoxy-benzylidene)-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C23H31NO5S2 MolecularWeight: 465.62594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5S2/c1-4-6-7-8-9-10-13-29-18-12-11-16(14-19(18)28-3)15-20-21(25)24(23(30)31-20)17(5-2)22(26)27/h11-12,14-15,17H,4-10,13H2,1-3H3,(H,26,27)/b20-15+