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

Systemtic Name: 5-[(Z)-C-methyl-N-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]carbonimidoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(Z)-C-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]carbonimidoyl]thiophene-2-carboxylic acid CAS Name: 5-[(1Z)-1-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(Z)-C-methyl-N-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]carbonimidoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(Z)-C-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]carbonimidoyl]-2-thenoic acid Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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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)/b15-8-/t9-/m1/s1