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

Systemtic Name: 3-[2-[5-[(4-ethylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[5-[(4-ethylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[5-(4-ethylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]acetyl]amino]benzoic acid Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H18N2O4S2/c1-2-13-6-8-14(9-7-13)10-17-19(25)23(21(28)29-17)12-18(24)22-16-5-3-4-15(11-16)20(26)27/h3-11H,2,12H2,1H3,(H,22,24)(H,26,27)