11-[(5Z)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5Z)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5Z)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5Z)-4-keto-2-thioxo-5-vanillylidene-thiazolidin-3-yl]undecanoic acid Formula: C22H29NO5S2 MolecularWeight: 451.59936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C22H29NO5S2/c1-28-18-14-16(11-12-17(18)24)15-19-21(27)23(22(29)30-19)13-9-7-5-3-2-4-6-8-10-20(25)26/h11-12,14-15,24H,2-10,13H2,1H3,(H,25,26)/b19-15-