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

Systemtic Name: ethyl 2-azanyl-3-(4-methylsulfanylphenyl)-3-oxidanyl-propanoate hydrochloride Openeye Name: ethyl 2-amino-3-hydroxy-3-(4-methylsulfanylphenyl)propanoate hydrochloride CAS Name: 2-amino-3-hydroxy-3-[4-(methylthio)phenyl]propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-amino-3-hydroxy-3-(4-methylsulfanylphenyl)propanoate hydrochloride Traditional Name: 2-amino-3-hydroxy-3-[4-(methylthio)phenyl]propionic acid ethyl ester hydrochloride Formula: C12H18ClNO3S MolecularWeight: 291.79422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)SC)O)N.Cl

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(C=C1)SC)O)N.Cl

InChI

InChI=1S/C12H17NO3S.ClH/c1-3-16-12(15)10(13)11(14)8-4-6-9(17-2)7-5-8;/h4-7,10-11,14H,3,13H2,1-2H3;1H