methyl 3-[(4-methylsulfanylphenyl)methylamino]propanoate

Systemtic Name: methyl 3-[(4-methylsulfanylphenyl)methylamino]propanoate Openeye Name: methyl 3-[(4-methylsulfanylphenyl)methylamino]propanoate CAS Name: 3-[[4-(methylthio)phenyl]methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-methylsulfanylphenyl)methylamino]propanoate Traditional Name: 3-[[4-(methylthio)benzyl]amino]propionic acid methyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNCC1=CC=C(C=C1)SC

Isomeric SMILES

COC(=O)CCNCC1=CC=C(C=C1)SC

InChI

InChI=1S/C12H17NO2S/c1-15-12(14)7-8-13-9-10-3-5-11(16-2)6-4-10/h3-6,13H,7-9H2,1-2H3