3-[2-[(4-fluorophenyl)carbonylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[2-[(4-fluorophenyl)carbonylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-[(4-fluorobenzoyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[[(4-fluorophenyl)-oxomethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-[(4-fluorobenzoyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-[(4-fluorobenzoyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C19H19FN2O4S MolecularWeight: 390.428563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)C(CC(=O)O)CSCCNC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CN=C1)C(=O)C(CC(=O)O)CSCCNC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H19FN2O4S/c20-16-5-3-13(4-6-16)19(26)22-8-9-27-12-15(10-17(23)24)18(25)14-2-1-7-21-11-14/h1-7,11,15H,8-10,12H2,(H,22,26)(H,23,24)