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

Systemtic Name: 3-[4-[5-[(4-methoxyphenyl)methylidene]-2-oxidanylidene-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Openeye Name: 3-[4-[5-[(4-methoxyphenyl)methylene]-2-oxo-4-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid CAS Name: 3-[[4-[5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[4-[5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Traditional Name: 3-[4-(2-keto-5-p-anisylidene-4-thioxo-thiazolidin-3-yl)butanoylamino]benzoic acid Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5S2/c1-29-17-9-7-14(8-10-17)12-18-20(30)24(22(28)31-18)11-3-6-19(25)23-16-5-2-4-15(13-16)21(26)27/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,23,25)(H,26,27)