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

Systemtic Name: 4-[(5E)-4-oxidanylidene-5-[(2-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[(5E)-4-oxo-5-[(2-prop-2-ynoxyphenyl)methylene]-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[(5E)-4-oxo-5-[(2-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[(5E)-4-oxo-5-[(2-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[(5E)-4-keto-5-(2-propargyloxybenzylidene)-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C20H13NO4S2 MolecularWeight: 395.45152

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C=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/C20H13NO4S2/c1-2-11-25-16-6-4-3-5-14(16)12-17-18(22)21(20(26)27-17)15-9-7-13(8-10-15)19(23)24/h1,3-10,12H,11H2,(H,23,24)/b17-12+