2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C12H14ClFN2O3S MolecularWeight: 320.767563

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C12H14ClFN2O3S/c1-20-5-4-10(11(17)18)16-12(19)15-7-2-3-9(14)8(13)6-7/h2-3,6,10H,4-5H2,1H3,(H,17,18)(H2,15,16,19)