methyl 3-(4-azanyl-3-tert-butyl-5-methyl-phenyl)sulfanyl-2-methyl-propanoate

Systemtic Name: methyl 3-(4-azanyl-3-tert-butyl-5-methyl-phenyl)sulfanyl-2-methyl-propanoate Openeye Name: methyl 3-(4-amino-3-tert-butyl-5-methyl-phenyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[(4-amino-3-tert-butyl-5-methylphenyl)thio]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-(4-amino-3-tert-butyl-5-methylphenyl)sulfanyl-2-methylpropanoate Traditional Name: 3-[(4-amino-3-tert-butyl-5-methyl-phenyl)thio]-2-methyl-propionic acid methyl ester Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)C(C)(C)C)SCC(C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1N)C(C)(C)C)SCC(C)C(=O)OC

InChI

InChI=1S/C16H25NO2S/c1-10-7-12(20-9-11(2)15(18)19-6)8-13(14(10)17)16(3,4)5/h7-8,11H,9,17H2,1-6H3