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

Systemtic Name: 4-chloranyl-3-[2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-yl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(4-oxo-2-thioxo-thiazolidin-5-yl)acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-(4-oxo-2-sulfanylidene-5-thiazolidinyl)ethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(4-keto-2-thioxo-thiazolidin-5-yl)acetyl]amino]benzoic acid Formula: C12H9ClN2O4S2 MolecularWeight: 344.79386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CC2C(=O)NC(=S)S2)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CC2C(=O)NC(=S)S2)Cl

InChI

InChI=1S/C12H9ClN2O4S2/c13-6-2-1-5(11(18)19)3-7(6)14-9(16)4-8-10(17)15-12(20)21-8/h1-3,8H,4H2,(H,14,16)(H,18,19)(H,15,17,20)