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

Systemtic Name: 4-[(5Z)-5-[(3-bromanyl-4-hexoxy-5-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-5-[(3-bromo-4-hexoxy-5-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-5-[(3-bromo-4-hexoxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-5-[(3-bromo-4-hexoxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-5-(3-bromo-4-hexoxy-5-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C21H26BrNO5S2 MolecularWeight: 516.46884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrNO5S2/c1-3-4-5-6-10-28-19-15(22)11-14(12-16(19)27-2)13-17-20(26)23(21(29)30-17)9-7-8-18(24)25/h11-13H,3-10H2,1-2H3,(H,24,25)/b17-13-