1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone Openeye Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(2-naphthylsulfanyl)ethanone CAS Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-(2-naphthalenylthio)ethanone IUPAC Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylsulfanylethanone Traditional Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-(2-naphthylthio)ethanone Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=CC3=CC=CC=C3C=C2)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CSC2=CC3=CC=CC=C3C=C2)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C25H25NO3S/c27-25(17-30-21-10-8-18-5-1-2-6-19(18)15-21)26-12-3-7-22(26)20-9-11-23-24(16-20)29-14-4-13-28-23/h1-2,5-6,8-11,15-16,22H,3-4,7,12-14,17H2/t22-/m1/s1