methyl 4-(4-azanyl-2-methyl-phenyl)sulfanylbutanoate

Systemtic Name: methyl 4-(4-azanyl-2-methyl-phenyl)sulfanylbutanoate Openeye Name: methyl 4-(4-amino-2-methyl-phenyl)sulfanylbutanoate CAS Name: 4-[(4-amino-2-methylphenyl)thio]butanoic acid methyl ester IUPAC Name: methyl 4-(4-amino-2-methylphenyl)sulfanylbutanoate Traditional Name: 4-[(4-amino-2-methyl-phenyl)thio]butyric acid methyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)SCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N)SCCCC(=O)OC

InChI

InChI=1S/C12H17NO2S/c1-9-8-10(13)5-6-11(9)16-7-3-4-12(14)15-2/h5-6,8H,3-4,7,13H2,1-2H3