[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-ethyl-propan-2-yl-azanium

Systemtic Name: [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-ethyl-propan-2-yl-azanium Openeye Name: [(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-ethyl-isopropyl-ammonium CAS Name: [[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-ethoxycarbonyl-ethyl-propan-2-ylammonium IUPAC Name: [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-ethoxycarbonyl-ethyl-propan-2-ylazanium Traditional Name: carbethoxy-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-ethyl-isopropyl-ammonium Formula: C20H31N2O5S+ MolecularWeight: 411.53554

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C(C)C)(C(=O)OCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

Isomeric SMILES

CC[N+](C(C)C)(C(=O)OCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

InChI

InChI=1S/C20H31N2O5S/c1-8-22(14(3)4,19(24)25-9-2)28-21(7)18(23)26-16-12-10-11-15-13-20(5,6)27-17(15)16/h10-12,14H,8-9,13H2,1-7H3/q+1