6-[3-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]hexanoic acid

Systemtic Name: 6-[3-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]hexanoic acid Openeye Name: 6-[3-[(5E)-5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]hexanoic acid CAS Name: 6-[[1-oxo-3-[(5E)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]propyl]amino]hexanoic acid IUPAC Name: 6-[3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]hexanoic acid Traditional Name: 6-[3-[(5E)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]propanoylamino]hexanoic acid Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C19H22N2O4S2/c22-16(20-11-6-2-5-9-17(23)24)10-12-21-18(25)15(27-19(21)26)13-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,20,22)(H,23,24)/b15-13+