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

Systemtic Name: 2-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3,5-dichloro-4-methoxy-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3,5-dichloro-4-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3,5-dichloro-4-methoxy-benzoyl)amino]-4-(methylthio)butyric acid Formula: C13H15Cl2NO4S MolecularWeight: 352.2335

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)NC(CCSC)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)NC(CCSC)C(=O)O)Cl

InChI

InChI=1S/C13H15Cl2NO4S/c1-20-11-8(14)5-7(6-9(11)15)12(17)16-10(13(18)19)3-4-21-2/h5-6,10H,3-4H2,1-2H3,(H,16,17)(H,18,19)