3-azanyl-4-[[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)amino]methyl]-5-fluoranyl-benzoic acid

Systemtic Name: 3-azanyl-4-[[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)amino]methyl]-5-fluoranyl-benzoic acid Openeye Name: 3-amino-4-[[[4-ethyl-2-(3-pyridyl)thiazol-5-yl]amino]methyl]-5-fluoro-benzoic acid CAS Name: 3-amino-4-[[[4-ethyl-2-(3-pyridinyl)-5-thiazolyl]amino]methyl]-5-fluorobenzoic acid IUPAC Name: 3-amino-4-[[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)amino]methyl]-5-fluorobenzoic acid Traditional Name: 3-amino-4-[[[4-ethyl-2-(3-pyridyl)thiazol-5-yl]amino]methyl]-5-fluoro-benzoic acid Formula: C18H17FN4O2S MolecularWeight: 372.416583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=CN=CC=C2)NCC3=C(C=C(C=C3F)C(=O)O)N

Isomeric SMILES

CCC1=C(SC(=N1)C2=CN=CC=C2)NCC3=C(C=C(C=C3F)C(=O)O)N

InChI

InChI=1S/C18H17FN4O2S/c1-2-15-17(26-16(23-15)10-4-3-5-21-8-10)22-9-12-13(19)6-11(18(24)25)7-14(12)20/h3-8,22H,2,9,20H2,1H3,(H,24,25)