dimethyl 2-[[(E)-pyridin-2-ylmethylideneamino]carbamothioylamino]pentanedioate

Systemtic Name: dimethyl 2-[[(E)-pyridin-2-ylmethylideneamino]carbamothioylamino]pentanedioate Openeye Name: dimethyl 2-[[(E)-2-pyridylmethyleneamino]carbamothioylamino]pentanedioate CAS Name: 2-[[[(2E)-2-(2-pyridinylmethylidene)hydrazinyl]-sulfanylidenemethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(E)-pyridin-2-ylmethylideneamino]carbamothioylamino]pentanedioate Traditional Name: 2-[[(E)-2-pyridylmethyleneamino]thiocarbamoylamino]glutaric acid dimethyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=S)NN=CC1=CC=CC=N1

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4S/c1-21-12(19)7-6-11(13(20)22-2)17-14(23)18-16-9-10-5-3-4-8-15-10/h3-5,8-9,11H,6-7H2,1-2H3,(H2,17,18,23)/b16-9+