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

Systemtic Name: tert-butyl 4-[4-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(3-chloro-4-methoxy-phenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(3-chloro-4-methoxyanilino)-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(3-chloro-4-methoxy-phenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-21(2,3)29-20(27)25-9-7-13(8-10-25)19-24-16(12-30-19)18(26)23-14-5-6-17(28-4)15(22)11-14/h5-6,11-13H,7-10H2,1-4H3,(H,23,26)