(4-aminocarbonyl-2-nitro-phenyl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H16N2O5S MolecularWeight: 360.38434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-11-4-2-3-5-15(11)25-10-16(20)24-9-13-7-6-12(17(18)21)8-14(13)19(22)23/h2-8H,9-10H2,1H3,(H2,18,21)