2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-methylpentanoic acid Traditional Name: 2-[[2-chloro-5-(methylthio)benzoyl]amino]-4-methyl-valeric acid Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO3S/c1-8(2)6-12(14(18)19)16-13(17)10-7-9(20-3)4-5-11(10)15/h4-5,7-8,12H,6H2,1-3H3,(H,16,17)(H,18,19)