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

Systemtic Name: tert-butyl N-[[5-cyano-2-(3-fluoranyl-4-methylsulfanyl-phenoxy)phenyl]methyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[[5-cyano-2-(3-fluoro-4-methylsulfanyl-phenoxy)phenyl]methyl]-N-methyl-carbamate CAS Name: N-[[5-cyano-2-[3-fluoro-4-(methylthio)phenoxy]phenyl]methyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[5-cyano-2-(3-fluoro-4-methylsulfanylphenoxy)phenyl]methyl]-N-methylcarbamate Traditional Name: N-[5-cyano-2-[3-fluoro-4-(methylthio)phenoxy]benzyl]-N-methyl-carbamic acid tert-butyl ester Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC1=C(C=CC(=C1)C#N)OC2=CC(=C(C=C2)SC)F

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC1=C(C=CC(=C1)C#N)OC2=CC(=C(C=C2)SC)F

InChI

InChI=1S/C21H23FN2O3S/c1-21(2,3)27-20(25)24(4)13-15-10-14(12-23)6-8-18(15)26-16-7-9-19(28-5)17(22)11-16/h6-11H,13H2,1-5H3