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

Systemtic Name: 4-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[(5Z)-5-[(4-octoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[(5Z)-4-keto-5-(4-octoxybenzylidene)-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C25H27NO4S2 MolecularWeight: 469.61618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H27NO4S2/c1-2-3-4-5-6-7-16-30-21-14-8-18(9-15-21)17-22-23(27)26(25(31)32-22)20-12-10-19(11-13-20)24(28)29/h8-15,17H,2-7,16H2,1H3,(H,28,29)/b22-17-