2-[[3,5-bis(chloranyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3,5-bis(chloranyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3,5-dichlorobenzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3,5-dichlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3,5-dichlorobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3,5-dichlorobenzoyl)amino]-4-(methylthio)butyric acid Formula: C12H13Cl2NO3S MolecularWeight: 322.20752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2NO3S/c1-19-3-2-10(12(17)18)15-11(16)7-4-8(13)6-9(14)5-7/h4-6,10H,2-3H2,1H3,(H,15,16)(H,17,18)