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

Systemtic Name: [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-ethyl-(2-methoxyethyl)azanium Openeye Name: [(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-ethyl-(2-methoxyethyl)ammonium CAS Name: [[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-ethoxycarbonyl-ethyl-(2-methoxyethyl)ammonium IUPAC Name: [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-ethoxycarbonyl-ethyl-(2-methoxyethyl)azanium Traditional Name: carbethoxy-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-ethyl-(2-methoxyethyl)ammonium Formula: C20H31N2O6S+ MolecularWeight: 427.53494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N2O6S/c1-7-22(12-13-25-6,19(24)26-8-2)29-21(5)18(23)27-16-11-9-10-15-14-20(3,4)28-17(15)16/h9-11H,7-8,12-14H2,1-6H3/q+1