4-[(5E)-4-oxidanylidene-5-[(3-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Systemtic Name: 4-[(5E)-4-oxidanylidene-5-[(3-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[(5E)-5-[(3-allyloxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[(5E)-4-oxo-5-[(3-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[(5E)-4-oxo-5-[(3-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[(5E)-5-(3-allyloxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C20H15NO4S2 MolecularWeight: 397.4674

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C=CCOC1=CC=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H15NO4S2/c1-2-10-25-16-5-3-4-13(11-16)12-17-18(22)21(20(26)27-17)15-8-6-14(7-9-15)19(23)24/h2-9,11-12H,1,10H2,(H,23,24)/b17-12+