[2-[1-(dimethylcarbamothioylsulfanyl)-2-nitro-ethyl]-6-methoxy-phenyl] ethanoate

Systemtic Name: [2-[1-(dimethylcarbamothioylsulfanyl)-2-nitro-ethyl]-6-methoxy-phenyl] ethanoate Openeye Name: [2-[1-(dimethylcarbamothioylsulfanyl)-2-nitro-ethyl]-6-methoxy-phenyl] acetate CAS Name: acetic acid [2-[1-[[dimethylamino(sulfanylidene)methyl]thio]-2-nitroethyl]-6-methoxyphenyl] ester IUPAC Name: [2-[1-(dimethylcarbamothioylsulfanyl)-2-nitroethyl]-6-methoxyphenyl] acetate Traditional Name: acetic acid [2-[1-(dimethylthiocarbamoylthio)-2-nitro-ethyl]-6-methoxy-phenyl] ester Formula: C14H18N2O5S2 MolecularWeight: 358.43312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC=C1OC)C(C[N+](=O)[O-])SC(=S)N(C)C

Isomeric SMILES

CC(=O)OC1=C(C=CC=C1OC)C(C[N+](=O)[O-])SC(=S)N(C)C

InChI

InChI=1S/C14H18N2O5S2/c1-9(17)21-13-10(6-5-7-11(13)20-4)12(8-16(18)19)23-14(22)15(2)3/h5-7,12H,8H2,1-4H3