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

Systemtic Name: methyl 4-[(5E)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: methyl 4-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid methyl ester Formula: C16H14BrNO5S2 MolecularWeight: 444.32006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)SC1=S

Isomeric SMILES

COC(=O)CCCN1C(=O)/C(=C\C2=CC3=C(C=C2Br)OCO3)/SC1=S

InChI

InChI=1S/C16H14BrNO5S2/c1-21-14(19)3-2-4-18-15(20)13(25-16(18)24)6-9-5-11-12(7-10(9)17)23-8-22-11/h5-7H,2-4,8H2,1H3/b13-6+