(5E)-3-(1,3-benzodioxol-5-yl)-5-[(3-bromanyl-5-ethoxy-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-ethoxy-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-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-[(3-bromo-5-ethoxy-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-ethoxy-4-propargyloxy-benzylidene)-2-thioxo-thiazolidin-4-one Formula: C22H16BrNO5S2 MolecularWeight: 518.40014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)Br)OCC#C

Isomeric SMILES

CCOC1=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/C22H16BrNO5S2/c1-3-7-27-20-15(23)8-13(9-18(20)26-4-2)10-19-21(25)24(22(30)31-19)14-5-6-16-17(11-14)29-12-28-16/h1,5-6,8-11H,4,7,12H2,2H3/b19-10+