[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N2O5S/c1-13-3-6-15(7-4-13)11-27-12-19(23)26-10-18(22)20-17-9-16(21(24)25)8-5-14(17)2/h3-9H,10-12H2,1-2H3,(H,20,22)