ethyl 4-[(5E)-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate

Systemtic Name: ethyl 4-[(5E)-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: ethyl 4-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate CAS Name: 4-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Traditional Name: 4-[(5E)-5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid ethyl ester Formula: C20H16BrNO5S2 MolecularWeight: 494.37874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)OC)SC2=S

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C(=C3)Br)O)OC)/SC2=S

InChI

InChI=1S/C20H16BrNO5S2/c1-3-27-19(25)12-4-6-13(7-5-12)22-18(24)16(29-20(22)28)10-11-8-14(21)17(23)15(9-11)26-2/h4-10,23H,3H2,1-2H3/b16-10+