methyl 3-[2-(4-aminophenyl)ethylsulfanyl]propanoate

Systemtic Name: methyl 3-[2-(4-aminophenyl)ethylsulfanyl]propanoate Openeye Name: methyl 3-[2-(4-aminophenyl)ethylsulfanyl]propanoate CAS Name: 3-[2-(4-aminophenyl)ethylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-aminophenyl)ethylsulfanyl]propanoate Traditional Name: 3-[2-(4-aminophenyl)ethylthio]propionic acid methyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCC1=CC=C(C=C1)N

Isomeric SMILES

COC(=O)CCSCCC1=CC=C(C=C1)N

InChI

InChI=1S/C12H17NO2S/c1-15-12(14)7-9-16-8-6-10-2-4-11(13)5-3-10/h2-5H,6-9,13H2,1H3