tert-butyl 4-[2-(ethylcarbamoylamino)-4-fluoranyl-7-pyridin-2-yl-1,3-benzothiazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(ethylcarbamoylamino)-4-fluoranyl-7-pyridin-2-yl-1,3-benzothiazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: tert-butyl 4-[2-(ethylcarbamoylamino)-4-fluoro-7-(2-pyridyl)-1,3-benzothiazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-[2-(ethylcarbamoylamino)-4-fluoro-7-(2-pyridinyl)-1,3-benzothiazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(ethylcarbamoylamino)-4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-[2-(ethylcarbamoylamino)-4-fluoro-7-(2-pyridyl)-1,3-benzothiazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C25H28FN5O3S MolecularWeight: 497.584923

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C(=CC(=C2F)C3=CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=N4

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C(=CC(=C2F)C3=CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=N4

InChI

InChI=1S/C25H28FN5O3S/c1-5-27-22(32)30-23-29-20-19(26)16(14-17(21(20)35-23)18-8-6-7-11-28-18)15-9-12-31(13-10-15)24(33)34-25(2,3)4/h6-9,11,14H,5,10,12-13H2,1-4H3,(H2,27,29,30,32)