tert-butyl (2S)-2-[(2-oxidanylidene-3H-benzimidazol-1-yl)carbothioyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(2-oxidanylidene-3H-benzimidazol-1-yl)carbothioyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(2-oxo-3H-benzimidazole-1-carbothioyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(2-oxo-3H-benzimidazol-1-yl)-sulfanylidenemethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(2-oxo-3H-benzimidazole-1-carbothioyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-(2-keto-3H-benzimidazole-1-carbothioyl)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(=S)N2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=S)N2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C17H21N3O3S/c1-17(2,3)23-16(22)19-10-6-9-13(19)14(24)20-12-8-5-4-7-11(12)18-15(20)21/h4-5,7-8,13H,6,9-10H2,1-3H3,(H,18,21)/t13-/m0/s1