tert-butyl 4-[4-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(2-furylmethylsulfanyl)ethylcarbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[2-(2-furanylmethylthio)ethylamino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[2-(2-furfurylthio)ethylcarbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C21H29N3O4S2/c1-21(2,3)28-20(26)24-9-6-15(7-10-24)19-23-17(14-30-19)18(25)22-8-12-29-13-16-5-4-11-27-16/h4-5,11,14-15H,6-10,12-13H2,1-3H3,(H,22,25)