ethyl 2-[1,3-benzothiazol-5-yl-(6-fluoranylpyridin-3-yl)carbonyl-amino]ethanoate

Systemtic Name: ethyl 2-[1,3-benzothiazol-5-yl-(6-fluoranylpyridin-3-yl)carbonyl-amino]ethanoate Openeye Name: ethyl 2-[1,3-benzothiazol-5-yl-(6-fluoropyridine-3-carbonyl)amino]acetate CAS Name: 2-[1,3-benzothiazol-5-yl-[(6-fluoro-3-pyridinyl)-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzothiazol-5-yl-(6-fluoropyridine-3-carbonyl)amino]acetate Traditional Name: 2-[1,3-benzothiazol-5-yl-(6-fluoronicotinoyl)amino]acetic acid ethyl ester Formula: C17H14FN3O3S MolecularWeight: 359.374763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)SC=N2)C(=O)C3=CN=C(C=C3)F

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)SC=N2)C(=O)C3=CN=C(C=C3)F

InChI

InChI=1S/C17H14FN3O3S/c1-2-24-16(22)9-21(17(23)11-3-6-15(18)19-8-11)12-4-5-14-13(7-12)20-10-25-14/h3-8,10H,2,9H2,1H3