ethyl 2-azanyl-3-(4-methylsulfanylphenyl)propanoate

Systemtic Name: ethyl 2-azanyl-3-(4-methylsulfanylphenyl)propanoate Openeye Name: ethyl 2-amino-3-(4-methylsulfanylphenyl)propanoate CAS Name: 2-amino-3-[4-(methylthio)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-(4-methylsulfanylphenyl)propanoate Traditional Name: 2-amino-3-[4-(methylthio)phenyl]propionic acid ethyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)SC)N

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)SC)N

InChI

InChI=1S/C12H17NO2S/c1-3-15-12(14)11(13)8-9-4-6-10(16-2)7-5-9/h4-7,11H,3,8,13H2,1-2H3