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

Systemtic Name: 4-[(5Z)-5-[(4-hexoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-5-[(4-hexoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-5-[(4-hexoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-5-[(4-hexoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-5-(4-hexoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C20H25NO4S2 MolecularWeight: 407.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O

InChI

InChI=1S/C20H25NO4S2/c1-2-3-4-5-13-25-16-10-8-15(9-11-16)14-17-19(24)21(20(26)27-17)12-6-7-18(22)23/h8-11,14H,2-7,12-13H2,1H3,(H,22,23)/b17-14-