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

Systemtic Name: 3-[5-[(3-methoxy-4-propan-2-yloxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[5-[(4-isopropoxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[5-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[5-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[5-(4-isopropoxy-3-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C21H19NO5S2 MolecularWeight: 429.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C21H19NO5S2/c1-12(2)27-16-8-7-13(9-17(16)26-3)10-18-19(23)22(21(28)29-18)15-6-4-5-14(11-15)20(24)25/h4-12H,1-3H3,(H,24,25)