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

Systemtic Name: 3-[5-[(3-bromanyl-4,5-diethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[(3-bromo-4,5-diethoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-(3-bromo-4,5-diethoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C17H18BrNO5S2 MolecularWeight: 460.36252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)O)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)O)Br)OCC

InChI

InChI=1S/C17H18BrNO5S2/c1-3-23-12-8-10(7-11(18)15(12)24-4-2)9-13-16(22)19(17(25)26-13)6-5-14(20)21/h7-9H,3-6H2,1-2H3,(H,20,21)