tert-butyl (2S)-2-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3O3S/c1-17(2,3)24-16(23)21-8-4-5-12(21)14(22)20-15-19-11-7-6-10(18)9-13(11)25-15/h6-7,9,12H,4-5,8H2,1-3H3,(H,19,20,22)/t12-/m0/s1