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

Systemtic Name: ethoxycarbonyl-ethyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyl-amino]sulfanyl-(phenylmethyl)azanium Openeye Name: benzyl-ethoxycarbonyl-ethyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyl-amino]sulfanyl-ammonium CAS Name: ethoxycarbonyl-ethyl-[[methyl-[[(Z)-1-(methylthio)ethylideneamino]oxy-oxomethyl]amino]thio]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethoxycarbonyl-ethyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylazanium Traditional Name: benzyl-carbethoxy-ethyl-[[methyl-[(Z)-1-(methylthio)ethylideneamino]oxycarbonyl-amino]thio]ammonium Formula: C17H26N3O4S2+ MolecularWeight: 400.53604

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC1=CC=CC=C1)(C(=O)OCC)SN(C)C(=O)ON=C(C)SC

Isomeric SMILES

CC[N+](CC1=CC=CC=C1)(C(=O)OCC)SN(C)C(=O)O/N=C(/C)\SC

InChI

InChI=1S/C17H26N3O4S2/c1-6-20(17(22)23-7-2,13-15-11-9-8-10-12-15)26-19(4)16(21)24-18-14(3)25-5/h8-12H,6-7,13H2,1-5H3/q+1/b18-14-