ethoxycarbonyl-ethyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyl-amino]sulfanyl-(2-phenoxyethyl)azanium

Systemtic Name: ethoxycarbonyl-ethyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyl-amino]sulfanyl-(2-phenoxyethyl)azanium Openeye Name: ethoxycarbonyl-ethyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyl-amino]sulfanyl-(2-phenoxyethyl)ammonium CAS Name: ethoxycarbonyl-ethyl-[[methyl-[[(Z)-1-(methylthio)ethylideneamino]oxy-oxomethyl]amino]thio]-(2-phenoxyethyl)ammonium IUPAC Name: ethoxycarbonyl-ethyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanyl-(2-phenoxyethyl)azanium Traditional Name: carbethoxy-ethyl-[[methyl-[(Z)-1-(methylthio)ethylideneamino]oxycarbonyl-amino]thio]-(2-phenoxyethyl)ammonium Formula: C18H28N3O5S2+ MolecularWeight: 430.56202

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CCOC1=CC=CC=C1)(C(=O)OCC)SN(C)C(=O)ON=C(C)SC

Isomeric SMILES

CC[N+](CCOC1=CC=CC=C1)(C(=O)OCC)SN(C)C(=O)O/N=C(/C)\SC

InChI

InChI=1S/C18H28N3O5S2/c1-6-21(18(23)24-7-2,13-14-25-16-11-9-8-10-12-16)28-20(4)17(22)26-19-15(3)27-5/h8-12H,6-7,13-14H2,1-5H3/q+1/b19-15-