(2R)-2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]pentanedioic acid

Systemtic Name: (2R)-2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]pentanedioic acid Openeye Name: (2R)-2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]pentanedioic acid CAS Name: (2R)-2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]pentanedioic acid Traditional Name: (2R)-2-[[2-chloro-5-(methylthio)benzoyl]amino]glutaric acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N[C@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H14ClNO5S/c1-21-7-2-3-9(14)8(6-7)12(18)15-10(13(19)20)4-5-11(16)17/h2-3,6,10H,4-5H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t10-/m1/s1