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

Systemtic Name: 3-[(5Z)-5-[(3-bromanyl-4-hexoxy-5-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5Z)-5-[(3-bromo-4-hexoxy-5-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5Z)-5-[(3-bromo-4-hexoxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5Z)-5-[(3-bromo-4-hexoxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5Z)-5-(3-bromo-4-hexoxy-5-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C20H24BrNO5S2 MolecularWeight: 502.44226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)C=C2C(=O)N(C(=S)S2)CCC(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O)OC

InChI

InChI=1S/C20H24BrNO5S2/c1-3-4-5-6-9-27-18-14(21)10-13(11-15(18)26-2)12-16-19(25)22(20(28)29-16)8-7-17(23)24/h10-12H,3-9H2,1-2H3,(H,23,24)/b16-12-