tert-butyl (2S)-2-[1,3-benzothiazol-2-yl(oxidanyl)methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[1,3-benzothiazol-2-yl(oxidanyl)methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[1,3-benzothiazol-2-yl(hydroxy)methyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[1,3-benzothiazol-2-yl(hydroxy)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[1,3-benzothiazol-2-yl(hydroxy)methyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[1,3-benzothiazol-2-yl(hydroxy)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(C2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(C2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C17H22N2O3S/c1-17(2,3)22-16(21)19-10-6-8-12(19)14(20)15-18-11-7-4-5-9-13(11)23-15/h4-5,7,9,12,14,20H,6,8,10H2,1-3H3/t12-,14?/m0/s1