methyl 5-[2-(ethylcarbamoylamino)-4-fluoranyl-7-pyridin-2-yl-1,3-benzothiazol-5-yl]pyridine-3-carboxylate

Systemtic Name: methyl 5-[2-(ethylcarbamoylamino)-4-fluoranyl-7-pyridin-2-yl-1,3-benzothiazol-5-yl]pyridine-3-carboxylate Openeye Name: methyl 5-[2-(ethylcarbamoylamino)-4-fluoro-7-(2-pyridyl)-1,3-benzothiazol-5-yl]pyridine-3-carboxylate CAS Name: 5-[2-(ethylcarbamoylamino)-4-fluoro-7-(2-pyridinyl)-1,3-benzothiazol-5-yl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-(ethylcarbamoylamino)-4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-5-yl]pyridine-3-carboxylate Traditional Name: 5-[2-(ethylcarbamoylamino)-4-fluoro-7-(2-pyridyl)-1,3-benzothiazol-5-yl]nicotinic acid methyl ester Formula: C22H18FN5O3S MolecularWeight: 451.473423

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C(=CC(=C2S1)C3=CC=CC=N3)C4=CC(=CN=C4)C(=O)OC)F

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C(=CC(=C2S1)C3=CC=CC=N3)C4=CC(=CN=C4)C(=O)OC)F

InChI

InChI=1S/C22H18FN5O3S/c1-3-25-21(30)28-22-27-18-17(23)14(12-8-13(11-24-10-12)20(29)31-2)9-15(19(18)32-22)16-6-4-5-7-26-16/h4-11H,3H2,1-2H3,(H2,25,27,28,30)