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

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [4-(methylthio)benzyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C17H18N2O5S/c1-25-14-5-2-12(3-6-14)11-24-17(21)15-10-13(19(22)23)4-7-16(15)18-8-9-20/h2-7,10,18,20H,8-9,11H2,1H3