[4-[1-(dimethylcarbamothioylsulfanyl)-2-nitro-ethyl]phenyl] ethanoate

Systemtic Name: [4-[1-(dimethylcarbamothioylsulfanyl)-2-nitro-ethyl]phenyl] ethanoate Openeye Name: [4-[1-(dimethylcarbamothioylsulfanyl)-2-nitro-ethyl]phenyl] acetate CAS Name: acetic acid [4-[1-[[dimethylamino(sulfanylidene)methyl]thio]-2-nitroethyl]phenyl] ester IUPAC Name: [4-[1-(dimethylcarbamothioylsulfanyl)-2-nitroethyl]phenyl] acetate Traditional Name: acetic acid [4-[1-(dimethylthiocarbamoylthio)-2-nitro-ethyl]phenyl] ester Formula: C13H16N2O4S2 MolecularWeight: 328.40714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(C[N+](=O)[O-])SC(=S)N(C)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(C[N+](=O)[O-])SC(=S)N(C)C

InChI

InChI=1S/C13H16N2O4S2/c1-9(16)19-11-6-4-10(5-7-11)12(8-15(17)18)21-13(20)14(2)3/h4-7,12H,8H2,1-3H3