5-azanyl-2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-chloro-5-(methylthio)benzoyl]amino]-5-keto-valeric acid Formula: C13H15ClN2O4S MolecularWeight: 330.7872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O4S/c1-21-7-2-3-9(14)8(6-7)12(18)16-10(13(19)20)4-5-11(15)17/h2-3,6,10H,4-5H2,1H3,(H2,15,17)(H,16,18)(H,19,20)