2-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[4-(methylsulfanylmethyl)benzoyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[4-(methylsulfanylmethyl)benzoyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[4-[(methylthio)methyl]benzoyl]amino]propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-18-7-8-2-4-9(5-3-8)11(15)13-10(6-14)12(16)17/h2-5,10,14H,6-7H2,1H3,(H,13,15)(H,16,17)