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

Systemtic Name: dimethyl 2-[[(E)-furan-2-ylmethylideneamino]carbamothioylamino]pentanedioate Openeye Name: dimethyl 2-[[(E)-2-furylmethyleneamino]carbamothioylamino]pentanedioate CAS Name: 2-[[[(2E)-2-(2-furanylmethylidene)hydrazinyl]-sulfanylidenemethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(E)-furan-2-ylmethylideneamino]carbamothioylamino]pentanedioate Traditional Name: 2-[[(E)-2-furfurylideneamino]thiocarbamoylamino]glutaric acid dimethyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=S)NN=CC1=CC=CO1

Isomeric SMILES

COC(=O)CCC(C(=O)OC)NC(=S)N/N=C/C1=CC=CO1

InChI

InChI=1S/C13H17N3O5S/c1-19-11(17)6-5-10(12(18)20-2)15-13(22)16-14-8-9-4-3-7-21-9/h3-4,7-8,10H,5-6H2,1-2H3,(H2,15,16,22)/b14-8+