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

Systemtic Name: tert-butyl N-[[2-(3-chloranyl-4-methylsulfanyl-phenoxy)-5-(hydroxymethyl)phenyl]methyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[[2-(3-chloro-4-methylsulfanyl-phenoxy)-5-(hydroxymethyl)phenyl]methyl]-N-methyl-carbamate CAS Name: N-[[2-[3-chloro-4-(methylthio)phenoxy]-5-(hydroxymethyl)phenyl]methyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-(3-chloro-4-methylsulfanylphenoxy)-5-(hydroxymethyl)phenyl]methyl]-N-methylcarbamate Traditional Name: N-[2-[3-chloro-4-(methylthio)phenoxy]-5-methylol-benzyl]-N-methyl-carbamic acid tert-butyl ester Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC1=C(C=CC(=C1)CO)OC2=CC(=C(C=C2)SC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC1=C(C=CC(=C1)CO)OC2=CC(=C(C=C2)SC)Cl

InChI

InChI=1S/C21H26ClNO4S/c1-21(2,3)27-20(25)23(4)12-15-10-14(13-24)6-8-18(15)26-16-7-9-19(28-5)17(22)11-16/h6-11,24H,12-13H2,1-5H3