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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

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