methyl (1E)-N-[[[(E)-1-(2-cyanoethylsulfanyl)ethylideneamino]oxycarbonyl-methyl-amino]sulfanyl-methyl-carbamoyl]oxyethanimidothioate

Systemtic Name: methyl (1E)-N-[[[(E)-1-(2-cyanoethylsulfanyl)ethylideneamino]oxycarbonyl-methyl-amino]sulfanyl-methyl-carbamoyl]oxyethanimidothioate Openeye Name: methyl (1E)-N-[[[(E)-1-(2-cyanoethylsulfanyl)ethylideneamino]oxycarbonyl-methyl-amino]sulfanyl-methyl-carbamoyl]oxyethanimidothioate CAS Name: (1E)-N-[[[[[[(E)-1-(2-cyanoethylthio)ethylideneamino]oxy-oxomethyl]-methylamino]thio]-methylamino]-oxomethoxy]ethanimidothioic acid methyl ester IUPAC Name: methyl (1E)-N-[[[(E)-1-(2-cyanoethylsulfanyl)ethylideneamino]oxycarbonyl-methylamino]sulfanyl-methylcarbamoyl]oxyethanimidothioate Traditional Name: (1E)-N-[[[[(E)-1-(2-cyanoethylthio)ethylideneamino]oxycarbonyl-methyl-amino]thio]-methyl-carbamoyl]oxythioacetimidic acid methyl ester Formula: C12H19N5O4S3 MolecularWeight: 393.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SCCC#N)SC

Isomeric SMILES

C/C(=N\OC(=O)N(C)SN(C)C(=O)O/N=C(\C)/SCCC#N)/SC

InChI

InChI=1S/C12H19N5O4S3/c1-9(22-5)14-20-11(18)16(3)24-17(4)12(19)21-15-10(2)23-8-6-7-13/h6,8H2,1-5H3/b14-9+,15-10+