[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-20(11-14-7-9-15(28-2)10-8-14)18(22)12-27-19(23)13-26-17-6-4-3-5-16(17)21(24)25/h3-10H,11-13H2,1-2H3