4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Systemtic Name: 4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[(5Z)-5-[(4-tert-butylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[(5Z)-5-(4-tert-butylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3S2/c1-21(2,3)15-8-4-13(5-9-15)12-17-18(23)22(20(26)27-17)16-10-6-14(7-11-16)19(24)25/h4-12H,1-3H3,(H,24,25)/b17-12-