3-(4-fluorophenyl)-3-[[2-oxidanylidene-1-(thiophen-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-3-[[2-oxidanylidene-1-(thiophen-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[2-oxo-1-(2-thienylmethyl)-3-pyridyl]carbamoylamino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[oxo-[[2-oxo-1-(thiophen-2-ylmethyl)-3-pyridinyl]amino]methyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[2-oxo-1-(thiophen-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[[2-keto-1-(2-thenyl)-3-pyridyl]carbamoylamino]propionic acid Formula: C20H18FN3O4S MolecularWeight: 415.438023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)C(=C1)NC(=O)NC(CC(=O)O)C2=CC=C(C=C2)F)CC3=CC=CS3

Isomeric SMILES

C1=CN(C(=O)C(=C1)NC(=O)NC(CC(=O)O)C2=CC=C(C=C2)F)CC3=CC=CS3

InChI

InChI=1S/C20H18FN3O4S/c21-14-7-5-13(6-8-14)17(11-18(25)26)23-20(28)22-16-4-1-9-24(19(16)27)12-15-3-2-10-29-15/h1-10,17H,11-12H2,(H,25,26)(H2,22,23,28)