(2S)-2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3-chloro-4-hydroxy-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-chloro-4-hydroxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3-chloro-4-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=CC(=C(C=C1)O)Cl

Isomeric SMILES

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

InChI

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