5-[(Z)-C-methyl-N-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]carbonimidoyl]thiophene-2-carboxylate

Systemtic Name: 5-[(Z)-C-methyl-N-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]carbonimidoyl]thiophene-2-carboxylate Openeye Name: 5-[(Z)-C-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]carbonimidoyl]thiophene-2-carboxylate CAS Name: 5-[(1Z)-1-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylate IUPAC Name: 5-[(Z)-C-methyl-N-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]carbonimidoyl]thiophene-2-carboxylate Traditional Name: 5-[(Z)-C-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]carbonimidoyl]-2-thenoate Formula: C13H16N3O3S2- MolecularWeight: 326.41444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1CCCO1)C2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NC[C@H]1CCCO1)/C2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C13H17N3O3S2/c1-8(10-4-5-11(21-10)12(17)18)15-16-13(20)14-7-9-3-2-6-19-9/h4-5,9H,2-3,6-7H2,1H3,(H,17,18)(H2,14,16,20)/p-1/b15-8-/t9-/m1/s1