methyl 6-[(5E)-5-[(3-bromanyl-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCN1C(=O)C(=CC2=CC(=C(C=C2)O)Br)SC1=S

Isomeric SMILES

COC(=O)CCCCCN1C(=O)/C(=C\C2=CC(=C(C=C2)O)Br)/SC1=S

InChI

InChI=1S/C17H18BrNO4S2/c1-23-15(21)5-3-2-4-8-19-16(22)14(25-17(19)24)10-11-6-7-13(20)12(18)9-11/h6-7,9-10,20H,2-5,8H2,1H3/b14-10+