2-cyanoethyl (1E)-N-[2-chloranylethanoyl(methyl)carbamoyl]oxyethanimidothioate

Systemtic Name: 2-cyanoethyl (1E)-N-[2-chloranylethanoyl(methyl)carbamoyl]oxyethanimidothioate Openeye Name: 2-cyanoethyl (1E)-N-[(2-chloroacetyl)-methyl-carbamoyl]oxyethanimidothioate CAS Name: (1E)-N-[[(2-chloro-1-oxoethyl)-methylamino]-oxomethoxy]ethanimidothioic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (1E)-N-[(2-chloroacetyl)-methylcarbamoyl]oxyethanimidothioate Traditional Name: (1E)-N-[(2-chloroacetyl)-methyl-carbamoyl]oxythioacetimidic acid 2-cyanoethyl ester Formula: C9H12ClN3O3S MolecularWeight: 277.72788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)N(C)C(=O)CCl)SCCC#N

Isomeric SMILES

C/C(=N\OC(=O)N(C)C(=O)CCl)/SCCC#N

InChI

InChI=1S/C9H12ClN3O3S/c1-7(17-5-3-4-11)12-16-9(15)13(2)8(14)6-10/h3,5-6H2,1-2H3/b12-7+