2-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methyl]-1,3-benzothiazole Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=NC3=CC=CC=C3S2)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@@H](N(C1)CC2=NC3=CC=CC=C3S2)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C21H22N2O2S/c1-2-7-20-16(5-1)22-21(26-20)14-23-10-3-6-17(23)15-8-9-18-19(13-15)25-12-4-11-24-18/h1-2,5,7-9,13,17H,3-4,6,10-12,14H2/t17-/m1/s1