2-[[2,4-bis(fluoranyl)phenyl]carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[2,4-bis(fluoranyl)phenyl]carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(2,4-difluorobenzoyl)amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(2,4-difluorophenyl)-oxomethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[(2,4-difluorobenzoyl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(2,4-difluorobenzoyl)amino]-3-mercapto-propionic acid Formula: C10H9F2NO3S MolecularWeight: 261.245166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)C(=O)NC(CS)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)F)C(=O)NC(CS)C(=O)O

InChI

InChI=1S/C10H9F2NO3S/c11-5-1-2-6(7(12)3-5)9(14)13-8(4-17)10(15)16/h1-3,8,17H,4H2,(H,13,14)(H,15,16)