2-(3-chloranylpyridin-2-yl)sulfanyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(3-chloranylpyridin-2-yl)sulfanyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-[(3-chloro-2-pyridyl)sulfanyl]-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(3-chloro-2-pyridinyl)thio]-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(3-chloropyridin-2-yl)sulfanyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[(3-chloro-2-pyridyl)thio]-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]ethanone Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=C(C=CC=N2)Cl)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=C(C=CC=N2)Cl)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21ClN2O3S/c21-15-4-1-8-22-20(15)27-13-19(24)23-9-2-5-16(23)14-6-7-17-18(12-14)26-11-3-10-25-17/h1,4,6-8,12,16H,2-3,5,9-11,13H2