2-azanyl-4-methylsulfanyl-butanoic acid; N-(4-hydroxyphenyl)ethanamide

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; N-(4-hydroxyphenyl)ethanamide Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; N-(4-hydroxyphenyl)acetamide CAS Name: 2-amino-4-(methylthio)butanoic acid; N-(4-hydroxyphenyl)acetamide IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; N-(4-hydroxyphenyl)acetamide Traditional Name: 2-amino-4-(methylthio)butyric acid; N-(4-hydroxyphenyl)acetamide Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)O.CSCCC(C(=O)O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)O.CSCCC(C(=O)O)N

InChI

InChI=1S/C8H9NO2.C5H11NO2S/c1-6(10)9-7-2-4-8(11)5-3-7;1-9-3-2-4(6)5(7)8/h2-5,11H,1H3,(H,9,10);4H,2-3,6H2,1H3,(H,7,8)