methyl 4-[(5Z)-5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: methyl 4-[(5Z)-5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: methyl 4-[(5Z)-5-[(2-benzyloxy-5-bromo-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-5-(2-benzoxy-5-bromo-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid methyl ester Formula: C22H20BrNO4S2 MolecularWeight: 506.4325

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)SC1=S

Isomeric SMILES

COC(=O)CCCN1C(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)/SC1=S

InChI

InChI=1S/C22H20BrNO4S2/c1-27-20(25)8-5-11-24-21(26)19(30-22(24)29)13-16-12-17(23)9-10-18(16)28-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3/b19-13-