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

Systemtic Name: [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-methyl-propanoyl-azanium Openeye Name: [(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-methyl-propanoyl-ammonium CAS Name: [[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-ethoxycarbonyl-methyl-(1-oxopropyl)ammonium IUPAC Name: [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-ethoxycarbonyl-methyl-propanoylazanium Traditional Name: carbethoxy-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-methyl-propionyl-ammonium Formula: C19H27N2O6S+ MolecularWeight: 411.49248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N2O6S/c1-7-15(22)21(6,18(24)25-8-2)28-20(5)17(23)26-14-11-9-10-13-12-19(3,4)27-16(13)14/h9-11H,7-8,12H2,1-6H3/q+1