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

Systemtic Name: 5-[(5Z)-5-[(3-methoxy-4-octoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methyl-benzoic acid Openeye Name: 5-[(5Z)-5-[(3-methoxy-4-octoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-2-methyl-benzoic acid CAS Name: 5-[(5Z)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-2-methylbenzoic acid IUPAC Name: 5-[(5Z)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzoic acid Traditional Name: 5-[(5Z)-4-keto-5-(3-methoxy-4-octoxy-benzylidene)-2-thioxo-thiazolidin-3-yl]-2-methyl-benzoic acid Formula: C27H31NO5S2 MolecularWeight: 513.66874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO5S2/c1-4-5-6-7-8-9-14-33-22-13-11-19(15-23(22)32-3)16-24-25(29)28(27(34)35-24)20-12-10-18(2)21(17-20)26(30)31/h10-13,15-17H,4-9,14H2,1-3H3,(H,30,31)/b24-16-