2-cyanoethyl (1Z)-N-[(tert-butyldisulfanyl)-methyl-carbamoyl]oxy-2-methyl-2-nitro-propanimidothioate

Systemtic Name: 2-cyanoethyl (1Z)-N-[(tert-butyldisulfanyl)-methyl-carbamoyl]oxy-2-methyl-2-nitro-propanimidothioate Openeye Name: 2-cyanoethyl (1Z)-N-[(tert-butyldisulfanyl)-methyl-carbamoyl]oxy-2-methyl-2-nitro-propanimidothioate CAS Name: (1Z)-N-[[(tert-butyldisulfanyl)-methylamino]-oxomethoxy]-2-methyl-2-nitropropanimidothioic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (1Z)-N-[(tert-butyldisulfanyl)-methylcarbamoyl]oxy-2-methyl-2-nitropropanimidothioate Traditional Name: (1Z)-N-[(tert-butyldisulfanyl)-methyl-carbamoyl]oxy-2-methyl-2-nitro-thiopropionimidic acid 2-cyanoethyl ester Formula: C13H22N4O4S3 MolecularWeight: 394.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SSN(C)C(=O)ON=C(C(C)(C)[N+](=O)[O-])SCCC#N

Isomeric SMILES

CC(C)(C)SSN(C)C(=O)O/N=C(/C(C)(C)[N+](=O)[O-])\SCCC#N

InChI

InChI=1S/C13H22N4O4S3/c1-12(2,3)23-24-16(6)11(18)21-15-10(22-9-7-8-14)13(4,5)17(19)20/h7,9H2,1-6H3/b15-10-