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

Systemtic Name: 6-[5-[(3-bromanyl-4-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[5-[(3-bromo-4-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[5-(3-bromo-4-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C17H18BrNO4S2 MolecularWeight: 444.36312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)Br

InChI

InChI=1S/C17H18BrNO4S2/c1-23-13-7-6-11(9-12(13)18)10-14-16(22)19(17(24)25-14)8-4-2-3-5-15(20)21/h6-7,9-10H,2-5,8H2,1H3,(H,20,21)