methyl 3-(4-azanyl-3-tert-butyl-5-methyl-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(4-azanyl-3-tert-butyl-5-methyl-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(4-amino-3-tert-butyl-5-methyl-phenyl)sulfanylpropanoate CAS Name: 3-[(4-amino-3-tert-butyl-5-methylphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(4-amino-3-tert-butyl-5-methylphenyl)sulfanylpropanoate Traditional Name: 3-[(4-amino-3-tert-butyl-5-methyl-phenyl)thio]propionic acid methyl ester Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2S/c1-10-8-11(19-7-6-13(17)18-5)9-12(14(10)16)15(2,3)4/h8-9H,6-7,16H2,1-5H3