tert-butyl (2S)-2-(1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-(1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H21N3O3S/c1-17(2,3)23-16(22)20-10-6-8-12(20)14(21)19-15-18-11-7-4-5-9-13(11)24-15/h4-5,7,9,12H,6,8,10H2,1-3H3,(H,18,19,21)/t12-/m0/s1