(2S)-2-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(5-chloro-2-hydroxy-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(5-chloro-2-hydroxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(5-chloro-2-hydroxy-benzoyl)amino]-4-(methylthio)butyrate Formula: C12H13ClNO4S- MolecularWeight: 302.75392

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=C(C=CC(=C1)Cl)O

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=C(C=CC(=C1)Cl)O

InChI

InChI=1S/C12H14ClNO4S/c1-19-5-4-9(12(17)18)14-11(16)8-6-7(13)2-3-10(8)15/h2-3,6,9,15H,4-5H2,1H3,(H,14,16)(H,17,18)/p-1/t9-/m0/s1