2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid

Systemtic Name: 2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid Openeye Name: 2-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]pentanedioic acid CAS Name: 2-[[[(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]pentanedioic acid IUPAC Name: 2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid Traditional Name: 2-[[(E)-1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]glutaric acid Formula: C13H16N4O4S MolecularWeight: 324.35554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC(CCC(=O)O)C(=O)O)C1=CC=CC=N1

Isomeric SMILES

C/C(=N\NC(=S)NC(CCC(=O)O)C(=O)O)/C1=CC=CC=N1

InChI

InChI=1S/C13H16N4O4S/c1-8(9-4-2-3-7-14-9)16-17-13(22)15-10(12(20)21)5-6-11(18)19/h2-4,7,10H,5-6H2,1H3,(H,18,19)(H,20,21)(H2,15,17,22)/b16-8+