dimethyl 2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioate

Systemtic Name: dimethyl 2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioate Openeye Name: dimethyl 2-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]pentanedioate CAS Name: 2-[[[(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioate Traditional Name: 2-[[(E)-1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]glutaric acid dimethyl ester Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4S/c1-10(11-6-4-5-9-16-11)18-19-15(24)17-12(14(21)23-3)7-8-13(20)22-2/h4-6,9,12H,7-8H2,1-3H3,(H2,17,19,24)/b18-10+