methyl 6-[(5E)-5-[(3-bromanyl-4-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: methyl 6-[(5E)-5-[(3-bromanyl-4-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: methyl 6-[(5E)-5-[(3-bromo-4-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5E)-5-(3-bromo-4-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid methyl ester Formula: C18H20BrNO4S2 MolecularWeight: 458.3897

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCCCC(=O)OC)Br

InChI

InChI=1S/C18H20BrNO4S2/c1-23-14-8-7-12(10-13(14)19)11-15-17(22)20(18(25)26-15)9-5-3-4-6-16(21)24-2/h7-8,10-11H,3-6,9H2,1-2H3/b15-11+