2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylcarbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylthiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=S)NCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=S)NCC[NH+](C)C

InChI

InChI=1S/C17H27N3O2S/c1-5-21-15-9-13-8-12(2)22-16(13)10-14(15)11-19-17(23)18-6-7-20(3)4/h9-10,12H,5-8,11H2,1-4H3,(H2,18,19,23)/p+1/t12-/m0/s1