tert-butyl 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(3-chloro-4-fluoro-phenyl)methylcarbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[(3-chloro-4-fluorophenyl)methylamino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(3-chloro-4-fluoro-benzyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H25ClFN3O3S MolecularWeight: 453.957903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NCC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NCC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H25ClFN3O3S/c1-21(2,3)29-20(28)26-8-6-14(7-9-26)19-25-17(12-30-19)18(27)24-11-13-4-5-16(23)15(22)10-13/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,24,27)