3-[5-[(5-bromanyl-2-butoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C=C2C(=O)N(C(=S)S2)CCC(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C=C2C(=O)N(C(=S)S2)CCC(=O)O

InChI

InChI=1S/C17H18BrNO4S2/c1-2-3-8-23-13-5-4-12(18)9-11(13)10-14-16(22)19(17(24)25-14)7-6-15(20)21/h4-5,9-10H,2-3,6-8H2,1H3,(H,20,21)