6-[(5Z)-5-[(3-bromanyl-5-ethoxy-4-phenethyloxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5Z)-5-[(3-bromanyl-5-ethoxy-4-phenethyloxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5Z)-5-[(3-bromo-5-ethoxy-4-phenethyloxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5Z)-5-[(3-bromo-5-ethoxy-4-phenethyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5Z)-5-[(3-bromo-5-ethoxy-4-phenethyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5Z)-5-(3-bromo-5-ethoxy-4-phenethyloxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C26H28BrNO5S2 MolecularWeight: 578.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)O)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H28BrNO5S2/c1-2-32-21-16-19(15-20(27)24(21)33-14-12-18-9-5-3-6-10-18)17-22-25(31)28(26(34)35-22)13-8-4-7-11-23(29)30/h3,5-6,9-10,15-17H,2,4,7-8,11-14H2,1H3,(H,29,30)/b22-17-