2-[(5E)-5-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(5E)-5-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[(5E)-5-[(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[(5E)-5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[(5E)-5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[(5E)-5-(3-bromo-5-ethoxy-4-propargyloxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C17H14BrNO5S2 MolecularWeight: 456.33076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)Br)OCC#C

InChI

InChI=1S/C17H14BrNO5S2/c1-3-5-24-15-11(18)6-10(7-12(15)23-4-2)8-13-16(22)19(9-14(20)21)17(25)26-13/h1,6-8H,4-5,9H2,2H3,(H,20,21)/b13-8+