ethyl 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamothioylamino]benzoate CAS Name: 4-[[[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamothioylamino]benzoate Traditional Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylthiocarbamoylamino]benzoic acid ethyl ester Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C17H25N3O2S/c1-3-20-11-5-6-15(20)12-18-17(23)19-14-9-7-13(8-10-14)16(21)22-4-2/h7-10,15H,3-6,11-12H2,1-2H3,(H2,18,19,23)/p+1/t15-/m1/s1