methyl 2-[2-(2-ethylpyridin-4-yl)-1,3-thiazol-4-yl]-3-(5-fluoranyl-2-nitro-phenyl)propanoate

Systemtic Name: methyl 2-[2-(2-ethylpyridin-4-yl)-1,3-thiazol-4-yl]-3-(5-fluoranyl-2-nitro-phenyl)propanoate Openeye Name: methyl 2-[2-(2-ethyl-4-pyridyl)thiazol-4-yl]-3-(5-fluoro-2-nitro-phenyl)propanoate CAS Name: 2-[2-(2-ethyl-4-pyridinyl)-4-thiazolyl]-3-(5-fluoro-2-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[2-(2-ethylpyridin-4-yl)-1,3-thiazol-4-yl]-3-(5-fluoro-2-nitrophenyl)propanoate Traditional Name: 2-[2-(2-ethyl-4-pyridyl)thiazol-4-yl]-3-(5-fluoro-2-nitro-phenyl)propionic acid methyl ester Formula: C20H18FN3O4S MolecularWeight: 415.438023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=C1)C2=NC(=CS2)C(CC3=C(C=CC(=C3)F)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=NC=CC(=C1)C2=NC(=CS2)C(CC3=C(C=CC(=C3)F)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H18FN3O4S/c1-3-15-9-12(6-7-22-15)19-23-17(11-29-19)16(20(25)28-2)10-13-8-14(21)4-5-18(13)24(26)27/h4-9,11,16H,3,10H2,1-2H3