2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]ethanone Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H20ClN3O3S/c22-14-4-5-15-16(11-14)24-21(23-15)29-12-20(26)25-7-1-2-17(25)13-3-6-18-19(10-13)28-9-8-27-18/h3-6,10-11,17H,1-2,7-9,12H2,(H,23,24)/t17-/m0/s1