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

Systemtic Name: 3-[(5E)-4-oxidanylidene-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5E)-4-oxo-5-[(4-pyrrolidin-1-ylphenyl)methylene]-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5E)-4-oxo-5-[[4-(1-pyrrolidinyl)phenyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5E)-4-oxo-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5E)-4-keto-5-(4-pyrrolidinobenzylidene)-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H18N2O3S2/c24-19-18(12-14-6-8-16(9-7-14)22-10-1-2-11-22)28-21(27)23(19)17-5-3-4-15(13-17)20(25)26/h3-9,12-13H,1-2,10-11H2,(H,25,26)/b18-12+