(2S)-1-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-oxo-2-[(1-propyl-2-benzimidazolyl)thio]ethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[(1-propylbenzimidazol-2-yl)thio]acetyl]pyrrolidine-2-carboxylate Formula: C17H20N3O3S- MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C(=O)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C17H21N3O3S/c1-2-9-20-13-7-4-3-6-12(13)18-17(20)24-11-15(21)19-10-5-8-14(19)16(22)23/h3-4,6-7,14H,2,5,8-11H2,1H3,(H,22,23)/p-1/t14-/m0/s1