5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(methylamino)-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(methylamino)-4-oxidanylidene-pentanoic acid Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(methylamino)-4-oxo-pentanoic acid CAS Name: 5-[(2-chloro-6-fluorophenyl)methylthio]-3-(methylamino)-4-oxopentanoic acid IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(methylamino)-4-oxopentanoic acid Traditional Name: 5-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-3-(methylamino)valeric acid Formula: C13H15ClFNO3S MolecularWeight: 319.779503

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC(=O)O)C(=O)CSCC1=C(C=CC=C1Cl)F

Isomeric SMILES

CNC(CC(=O)O)C(=O)CSCC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H15ClFNO3S/c1-16-11(5-13(18)19)12(17)7-20-6-8-9(14)3-2-4-10(8)15/h2-4,11,16H,5-7H2,1H3,(H,18,19)