methyl N-tert-butyl-N-[[2-(3-methyl-4-methylsulfanyl-phenoxy)-5-nitro-phenyl]methyl]carbamate

Systemtic Name: methyl N-tert-butyl-N-[[2-(3-methyl-4-methylsulfanyl-phenoxy)-5-nitro-phenyl]methyl]carbamate Openeye Name: methyl N-tert-butyl-N-[[2-(3-methyl-4-methylsulfanyl-phenoxy)-5-nitro-phenyl]methyl]carbamate CAS Name: N-tert-butyl-N-[[2-[3-methyl-4-(methylthio)phenoxy]-5-nitrophenyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-tert-butyl-N-[[2-(3-methyl-4-methylsulfanylphenoxy)-5-nitrophenyl]methyl]carbamate Traditional Name: N-tert-butyl-N-[2-[3-methyl-4-(methylthio)phenoxy]-5-nitro-benzyl]carbamic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-14-11-17(8-10-19(14)29-6)28-18-9-7-16(23(25)26)12-15(18)13-22(20(24)27-5)21(2,3)4/h7-12H,13H2,1-6H3