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

Systemtic Name: methyl 3-[(5E)-5-[(3-bromanyl-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: methyl 3-[(5E)-5-[(3-bromo-4-hydroxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[(5E)-5-(3-bromo-4-hydroxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid methyl ester Formula: C14H12BrNO4S2 MolecularWeight: 402.28338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C(=CC2=CC(=C(C=C2)O)Br)SC1=S

Isomeric SMILES

COC(=O)CCN1C(=O)/C(=C\C2=CC(=C(C=C2)O)Br)/SC1=S

InChI

InChI=1S/C14H12BrNO4S2/c1-20-12(18)4-5-16-13(19)11(22-14(16)21)7-8-2-3-10(17)9(15)6-8/h2-3,6-7,17H,4-5H2,1H3/b11-7+