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

Systemtic Name: cyano-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethyl-(2-methoxyethyl)azanium Openeye Name: cyano-[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethyl-(2-methoxyethyl)ammonium CAS Name: cyano-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-ethyl-(2-methoxyethyl)ammonium IUPAC Name: cyano-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-ethyl-(2-methoxyethyl)azanium Traditional Name: cyano-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-ethyl-(2-methoxyethyl)ammonium Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N3O4S/c1-6-21(13-19,10-11-23-5)26-20(4)17(22)24-15-9-7-8-14-12-18(2,3)25-16(14)15/h7-9H,6,10-12H2,1-5H3/q+1