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

Systemtic Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-2-thioxo-thiazolidin-4-one Formula: C21H14BrNO5S2 MolecularWeight: 504.37356

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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)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)Br)OCC#C

InChI

InChI=1S/C21H14BrNO5S2/c1-3-6-26-19-14(22)7-12(8-17(19)25-2)9-18-20(24)23(21(29)30-18)13-4-5-15-16(10-13)28-11-27-15/h1,4-5,7-10H,6,11H2,2H3/b18-9+