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

Systemtic Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiazolyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]methyl]-1,3-benzothiazole Formula: C20H16N2O2S2 MolecularWeight: 380.48324

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CSC(=N3)CC4=NC5=CC=CC=C5S4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CSC(=N3)CC4=NC5=CC=CC=C5S4)OC1

InChI

InChI=1S/C20H16N2O2S2/c1-2-5-18-14(4-1)21-20(26-18)11-19-22-15(12-25-19)13-6-7-16-17(10-13)24-9-3-8-23-16/h1-2,4-7,10,12H,3,8-9,11H2