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

Systemtic Name: methyl 2-[(5Z)-5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: methyl 2-[(5Z)-5-[(2-benzyloxy-5-bromo-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 2-[(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 2-[(5Z)-5-(2-benzoxy-5-bromo-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid methyl ester Formula: C21H18BrNO4S2 MolecularWeight: 492.40592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)SC1=S

Isomeric SMILES

CC(C(=O)OC)N1C(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)/SC1=S

InChI

InChI=1S/C21H18BrNO4S2/c1-13(20(25)26-2)23-19(24)18(29-21(23)28)11-15-10-16(22)8-9-17(15)27-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/b18-11-