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

Systemtic Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methyl]-2-(3-thienyl)thiazole Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CSC(=N2)C3=CSC=C3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)CC2=CSC(=N2)C3=CSC=C3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C21H22N2O2S2/c1-3-18(15-4-5-19-20(11-15)25-9-2-8-24-19)23(7-1)12-17-14-27-21(22-17)16-6-10-26-13-16/h4-6,10-11,13-14,18H,1-3,7-9,12H2