methyl 3-[2-(1-azanylethyl)phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(1-azanylethyl)phenyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(1-aminoethyl)phenyl]sulfanylpropanoate CAS Name: 3-[[2-(1-aminoethyl)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1-aminoethyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[2-(1-aminoethyl)phenyl]thio]propionic acid methyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1SCCC(=O)OC)N

Isomeric SMILES

CC(C1=CC=CC=C1SCCC(=O)OC)N

InChI

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