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

Systemtic Name: 3-[5-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-(3-bromo-5-ethoxy-4-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C16H16BrNO5S2 MolecularWeight: 446.33594

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO5S2/c1-3-23-11-7-9(6-10(17)14(11)22-2)8-12-15(21)18(16(24)25-12)5-4-13(19)20/h6-8H,3-5H2,1-2H3,(H,19,20)