6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]hexanoic acid Openeye Name: 6-[(2-chloro-5-methylsulfanyl-benzoyl)amino]hexanoic acid CAS Name: 6-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(2-chloro-5-methylsulfanylbenzoyl)amino]hexanoic acid Traditional Name: 6-[[2-chloro-5-(methylthio)benzoyl]amino]hexanoic acid Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NCCCCCC(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C14H18ClNO3S/c1-20-10-6-7-12(15)11(9-10)14(19)16-8-4-2-3-5-13(17)18/h6-7,9H,2-5,8H2,1H3,(H,16,19)(H,17,18)