methyl 3-[4-(2-hydroxyethylamino)-3-methylsulfanyl-phenyl]propanoate

Systemtic Name: methyl 3-[4-(2-hydroxyethylamino)-3-methylsulfanyl-phenyl]propanoate Openeye Name: methyl 3-[4-(2-hydroxyethylamino)-3-methylsulfanyl-phenyl]propanoate CAS Name: 3-[4-(2-hydroxyethylamino)-3-(methylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-hydroxyethylamino)-3-methylsulfanylphenyl]propanoate Traditional Name: 3-[4-(2-hydroxyethylamino)-3-(methylthio)phenyl]propionic acid methyl ester Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)NCCO)SC

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)NCCO)SC

InChI

InChI=1S/C13H19NO3S/c1-17-13(16)6-4-10-3-5-11(14-7-8-15)12(9-10)18-2/h3,5,9,14-15H,4,6-8H2,1-2H3