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

Systemtic Name: 3-[2-[(4-fluorophenyl)carbamoylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-[(4-fluorophenyl)carbamoylamino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[[(4-fluoroanilino)-oxomethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-[(4-fluorophenyl)carbamoylamino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-[(4-fluorophenyl)carbamoylamino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C19H20FN3O4S MolecularWeight: 405.443203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)C(CC(=O)O)CSCCNC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CN=C1)C(=O)C(CC(=O)O)CSCCNC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C19H20FN3O4S/c20-15-3-5-16(6-4-15)23-19(27)22-8-9-28-12-14(10-17(24)25)18(26)13-2-1-7-21-11-13/h1-7,11,14H,8-10,12H2,(H,24,25)(H2,22,23,27)