2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(2-methyl-5-methylsulfanyl-benzoyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-methyl-5-(methylthio)benzoyl]amino]butyric acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-7-4-5-9(19-3)6-10(7)12(16)14-11(8(2)15)13(17)18/h4-6,8,11,15H,1-3H3,(H,14,16)(H,17,18)