3-[5-[(3-methoxy-2-prop-2-enoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Systemtic Name: 3-[5-[(3-methoxy-2-prop-2-enoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[5-[(2-allyloxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[5-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[5-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[5-(2-allyloxy-3-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C21H17NO5S2 MolecularWeight: 427.49338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC=C)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC=C)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H17NO5S2/c1-3-10-27-18-13(6-5-9-16(18)26-2)12-17-19(23)22(21(28)29-17)15-8-4-7-14(11-15)20(24)25/h3-9,11-12H,1,10H2,2H3,(H,24,25)