tert-butyl 2-(3H-1,2-thiazol-2-ylcarbonylcarbamoyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(3H-1,2-thiazol-2-ylcarbonylcarbamoyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(3H-isothiazole-2-carbonylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: 2-[[[3H-isothiazol-2-yl(oxo)methyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3H-1,2-thiazole-2-carbonylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: 2-(4-isothiazoline-2-carbonylcarbamoyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC(=O)N2CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NC(=O)N2CC=CS2

InChI

InChI=1S/C14H21N3O4S/c1-14(2,3)21-13(20)16-7-4-6-10(16)11(18)15-12(19)17-8-5-9-22-17/h5,9-10H,4,6-8H2,1-3H3,(H,15,18,19)