2,2-bis(fluoranyl)-3-pyridin-3-yl-3-(2-sulfanylethanoylamino)propanoic acid hydrochloride

Systemtic Name: 2,2-bis(fluoranyl)-3-pyridin-3-yl-3-(2-sulfanylethanoylamino)propanoic acid hydrochloride Openeye Name: 2,2-difluoro-3-(3-pyridyl)-3-[(2-sulfanylacetyl)amino]propanoic acid hydrochloride CAS Name: 2,2-difluoro-3-[(2-mercapto-1-oxoethyl)amino]-3-(3-pyridinyl)propanoic acid hydrochloride IUPAC Name: 2,2-difluoro-3-pyridin-3-yl-3-[(2-sulfanylacetyl)amino]propanoic acid hydrochloride Traditional Name: 2,2-difluoro-3-[(2-mercaptoacetyl)amino]-3-(3-pyridyl)propionic acid hydrochloride Formula: C10H11ClF2N2O3S MolecularWeight: 312.720746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(C(C(=O)O)(F)F)NC(=O)CS.Cl

Isomeric SMILES

C1=CC(=CN=C1)C(C(C(=O)O)(F)F)NC(=O)CS.Cl

InChI

InChI=1S/C10H10F2N2O3S.ClH/c11-10(12,9(16)17)8(14-7(15)5-18)6-2-1-3-13-4-6;/h1-4,8,18H,5H2,(H,14,15)(H,16,17);1H