tert-butyl (3S)-3-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate CAS Name: (3S)-3-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H22FN3O3S MolecularWeight: 379.448983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C18H22FN3O3S/c1-18(2,3)25-17(24)22-8-4-5-11(10-22)15(23)21-16-20-13-7-6-12(19)9-14(13)26-16/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,20,21,23)/t11-/m0/s1