methyl N-tert-butyl-N-[[2-(3-methylsulfanylphenoxy)-5-nitro-phenyl]methyl]carbamate

Systemtic Name: methyl N-tert-butyl-N-[[2-(3-methylsulfanylphenoxy)-5-nitro-phenyl]methyl]carbamate Openeye Name: methyl N-tert-butyl-N-[[2-(3-methylsulfanylphenoxy)-5-nitro-phenyl]methyl]carbamate CAS Name: N-tert-butyl-N-[[2-[3-(methylthio)phenoxy]-5-nitrophenyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-tert-butyl-N-[[2-(3-methylsulfanylphenoxy)-5-nitrophenyl]methyl]carbamate Traditional Name: N-tert-butyl-N-[2-[3-(methylthio)phenoxy]-5-nitro-benzyl]carbamic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC(=CC=C2)SC)C(=O)OC

Isomeric SMILES

CC(C)(C)N(CC1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC(=CC=C2)SC)C(=O)OC

InChI

InChI=1S/C20H24N2O5S/c1-20(2,3)21(19(23)26-4)13-14-11-15(22(24)25)9-10-18(14)27-16-7-6-8-17(12-16)28-5/h6-12H,13H2,1-5H3