[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5S/c1-14-16(8-5-9-17(14)21(24)25)19(23)26-12-18(22)20-10-11-27-13-15-6-3-2-4-7-15/h2-9H,10-13H2,1H3,(H,20,22)