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

Systemtic Name: 4-[(5Z)-5-[(3-bromanyl-5-methoxy-4-phenethyloxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-5-[(3-bromo-5-methoxy-4-phenethyloxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-5-[(3-bromo-5-methoxy-4-phenethyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-5-[(3-bromo-5-methoxy-4-phenethyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-5-(3-bromo-5-methoxy-4-phenethyloxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C23H22BrNO5S2 MolecularWeight: 536.45848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrNO5S2/c1-29-18-13-16(12-17(24)21(18)30-11-9-15-6-3-2-4-7-15)14-19-22(28)25(23(31)32-19)10-5-8-20(26)27/h2-4,6-7,12-14H,5,8-11H2,1H3,(H,26,27)/b19-14-