4-[(5E)-5-[(7-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: 4-[(5E)-5-[(7-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyrate Formula: C15H11BrNO5S2- MolecularWeight: 429.28554

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=C3C(=O)N(C(=S)S3)CCCC(=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)[O-])Br

InChI

InChI=1S/C15H12BrNO5S2/c16-9-4-8(5-10-13(9)22-7-21-10)6-11-14(20)17(15(23)24-11)3-1-2-12(18)19/h4-6H,1-3,7H2,(H,18,19)/p-1/b11-6+