3-(1,3-benzodioxol-5-yl)-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-2-thioxo-thiazolidin-4-one Formula: C18H12BrNO5S2 MolecularWeight: 466.32558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)Br)O

InChI

InChI=1S/C18H12BrNO5S2/c1-23-14-5-9(4-11(19)16(14)21)6-15-17(22)20(18(26)27-15)10-2-3-12-13(7-10)25-8-24-12/h2-7,21H,8H2,1H3