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

Systemtic Name: 6-[(5Z)-5-[(3-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5Z)-5-[(3-bromo-5-ethoxy-4-isopropoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5Z)-5-[(3-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5Z)-5-[(3-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5Z)-5-(3-bromo-5-ethoxy-4-isopropoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C21H26BrNO5S2 MolecularWeight: 516.46884

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrNO5S2/c1-4-27-16-11-14(10-15(22)19(16)28-13(2)3)12-17-20(26)23(21(29)30-17)9-7-5-6-8-18(24)25/h10-13H,4-9H2,1-3H3,(H,24,25)/b17-12-