(4-methylsulfanylphenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [4-(methylthio)benzyl] ester Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H20N2O5S/c1-24-10-9-19-17-8-5-14(20(22)23)11-16(17)18(21)25-12-13-3-6-15(26-2)7-4-13/h3-8,11,19H,9-10,12H2,1-2H3