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

Systemtic Name: 3-[5-[(5-bromanyl-2-propan-2-yloxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[(5-bromo-2-isopropoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-(5-bromo-2-isopropoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C16H16BrNO4S2 MolecularWeight: 430.33654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C=C2C(=O)N(C(=S)S2)CCC(=O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C=C2C(=O)N(C(=S)S2)CCC(=O)O

InChI

InChI=1S/C16H16BrNO4S2/c1-9(2)22-12-4-3-11(17)7-10(12)8-13-15(21)18(16(23)24-13)6-5-14(19)20/h3-4,7-9H,5-6H2,1-2H3,(H,19,20)