(2-azanyl-2-oxidanylidene-ethyl) (1Z)-N-[methyl-(4-nitrophenyl)sulfanyl-carbamoyl]oxyethanimidothioate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (1Z)-N-[methyl-(4-nitrophenyl)sulfanyl-carbamoyl]oxyethanimidothioate Openeye Name: (2-amino-2-oxo-ethyl) (1Z)-N-[methyl-(4-nitrophenyl)sulfanyl-carbamoyl]oxyethanimidothioate CAS Name: (1Z)-N-[[methyl-[(4-nitrophenyl)thio]amino]-oxomethoxy]ethanimidothioic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (1Z)-N-[methyl-(4-nitrophenyl)sulfanylcarbamoyl]oxyethanimidothioate Traditional Name: (1Z)-N-[methyl-[(4-nitrophenyl)thio]carbamoyl]oxythioacetimidic acid (2-amino-2-keto-ethyl) ester Formula: C12H14N4O5S2 MolecularWeight: 358.39336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)N(C)SC1=CC=C(C=C1)[N+](=O)[O-])SCC(=O)N

Isomeric SMILES

C/C(=N/OC(=O)N(C)SC1=CC=C(C=C1)[N+](=O)[O-])/SCC(=O)N

InChI

InChI=1S/C12H14N4O5S2/c1-8(22-7-11(13)17)14-21-12(18)15(2)23-10-5-3-9(4-6-10)16(19)20/h3-6H,7H2,1-2H3,(H2,13,17)/b14-8-