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

Systemtic Name: [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-ethyl-(2-phenoxyethyl)azanium Openeye Name: [(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-ethyl-(2-phenoxyethyl)ammonium CAS Name: [[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-ethoxycarbonyl-ethyl-(2-phenoxyethyl)ammonium IUPAC Name: [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-ethoxycarbonyl-ethyl-(2-phenoxyethyl)azanium Traditional Name: carbethoxy-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-ethyl-(2-phenoxyethyl)ammonium Formula: C25H33N2O6S+ MolecularWeight: 489.60432

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CCOC1=CC=CC=C1)(C(=O)OCC)SN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C

Isomeric SMILES

CC[N+](CCOC1=CC=CC=C1)(C(=O)OCC)SN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C

InChI

InChI=1S/C25H33N2O6S/c1-6-27(24(29)30-7-2,16-17-31-20-13-9-8-10-14-20)34-26(5)23(28)32-21-15-11-12-19-18-25(3,4)33-22(19)21/h8-15H,6-7,16-18H2,1-5H3/q+1