hexyl 2-(2-azanyl-5-methyl-phenyl)-2-methylsulfanyl-ethanoate

Systemtic Name: hexyl 2-(2-azanyl-5-methyl-phenyl)-2-methylsulfanyl-ethanoate Openeye Name: hexyl 2-(2-amino-5-methyl-phenyl)-2-methylsulfanyl-acetate CAS Name: 2-(2-amino-5-methylphenyl)-2-(methylthio)acetic acid hexyl ester IUPAC Name: hexyl 2-(2-amino-5-methylphenyl)-2-methylsulfanylacetate Traditional Name: 2-(2-amino-5-methyl-phenyl)-2-(methylthio)acetic acid hexyl ester Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C1=C(C=CC(=C1)C)N)SC

Isomeric SMILES

CCCCCCOC(=O)C(C1=C(C=CC(=C1)C)N)SC

InChI

InChI=1S/C16H25NO2S/c1-4-5-6-7-10-19-16(18)15(20-3)13-11-12(2)8-9-14(13)17/h8-9,11,15H,4-7,10,17H2,1-3H3