3-[3-[5-[(4-methoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid

Systemtic Name: 3-[3-[5-[(4-methoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Openeye Name: 3-[3-[5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid CAS Name: 3-[[3-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Traditional Name: 3-[3-(4-keto-5-p-anisylidene-2-thioxo-thiazolidin-3-yl)propanoylamino]benzoic acid Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H18N2O5S2/c1-28-16-7-5-13(6-8-16)11-17-19(25)23(21(29)30-17)10-9-18(24)22-15-4-2-3-14(12-15)20(26)27/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,26,27)