tert-butyl 2-[(2,1,3-benzothiadiazol-5-ylcarbonylamino)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(2,1,3-benzothiadiazol-5-ylcarbonylamino)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(2,1,3-benzothiadiazole-5-carbonylamino)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]hydrazo]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2,1,3-benzothiadiazole-5-carbonylamino)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(piazthiole-5-carbonylamino)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NNC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NNC(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C17H21N5O4S/c1-17(2,3)26-16(25)22-8-4-5-13(22)15(24)19-18-14(23)10-6-7-11-12(9-10)21-27-20-11/h6-7,9,13H,4-5,8H2,1-3H3,(H,18,23)(H,19,24)