2-[(4-methylsulfanylphenyl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(4-methylsulfanylphenyl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[[4-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[[4-(methylthio)benzoyl]amino]butyric acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CC=C(C=C1)SC)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1=CC=C(C=C1)SC)O

InChI

InChI=1S/C12H15NO4S/c1-7(14)10(12(16)17)13-11(15)8-3-5-9(18-2)6-4-8/h3-7,10,14H,1-2H3,(H,13,15)(H,16,17)