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

Systemtic Name: 3-[3-[4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Openeye Name: 3-[3-(5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)propanoylamino]benzoic acid CAS Name: 3-[[1-oxo-3-[4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]propyl]amino]benzoic acid IUPAC Name: 3-[3-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoylamino]benzoic acid Traditional Name: 3-[3-(5-benzal-4-keto-2-thioxo-thiazolidin-3-yl)propanoylamino]benzoic acid Formula: C20H16N2O4S2 MolecularWeight: 412.48204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O4S2/c23-17(21-15-8-4-7-14(12-15)19(25)26)9-10-22-18(24)16(28-20(22)27)11-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,21,23)(H,25,26)