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

Systemtic Name: 3-[(5Z)-5-[(3-bromanyl-5-methoxy-4-phenethyloxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5Z)-5-[(3-bromo-5-methoxy-4-phenethyloxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5Z)-5-[(3-bromo-5-methoxy-4-phenethyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5Z)-5-[(3-bromo-5-methoxy-4-phenethyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5Z)-5-(3-bromo-5-methoxy-4-phenethyloxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C22H20BrNO5S2 MolecularWeight: 522.4319

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)O)Br)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H20BrNO5S2/c1-28-17-12-15(13-18-21(27)24(22(30)31-18)9-7-19(25)26)11-16(23)20(17)29-10-8-14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,25,26)/b18-13-