2-[[2,3-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2,3-difluorophenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[(2,3-difluorophenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2,3-difluorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2,3-difluorobenzyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C13H16F2N2O3S MolecularWeight: 318.339546

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCC1=C(C(=CC=C1)F)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NCC1=C(C(=CC=C1)F)F

InChI

InChI=1S/C13H16F2N2O3S/c1-21-6-5-10(12(18)19)17-13(20)16-7-8-3-2-4-9(14)11(8)15/h2-4,10H,5-7H2,1H3,(H,18,19)(H2,16,17,20)