2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[[2-chloro-5-(methylthio)benzoyl]amino]-3-methyl-butyric acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=C(C=CC(=C1)SC)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=C(C=CC(=C1)SC)Cl

InChI

InChI=1S/C13H16ClNO3S/c1-7(2)11(13(17)18)15-12(16)9-6-8(19-3)4-5-10(9)14/h4-7,11H,1-3H3,(H,15,16)(H,17,18)