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

Systemtic Name: 2-[4-[5-[(4-ethylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Openeye Name: 2-[4-[5-[(4-ethylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid CAS Name: 2-[[4-[5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[4-[5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Traditional Name: 2-[4-[5-(4-ethylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H22N2O4S2/c1-2-15-9-11-16(12-10-15)14-19-21(27)25(23(30)31-19)13-5-8-20(26)24-18-7-4-3-6-17(18)22(28)29/h3-4,6-7,9-12,14H,2,5,8,13H2,1H3,(H,24,26)(H,28,29)