2-(1,3-dioxepan-2-ylmethyl)-1,3-benzothiazole

Systemtic Name: 2-(1,3-dioxepan-2-ylmethyl)-1,3-benzothiazole Openeye Name: 2-(1,3-dioxepan-2-ylmethyl)-1,3-benzothiazole CAS Name: 2-(1,3-dioxepan-2-ylmethyl)-1,3-benzothiazole IUPAC Name: 2-(1,3-dioxepan-2-ylmethyl)-1,3-benzothiazole Traditional Name: 2-(1,3-dioxepan-2-ylmethyl)-1,3-benzothiazole Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(OC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCOC(OC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H15NO2S/c1-2-6-11-10(5-1)14-12(17-11)9-13-15-7-3-4-8-16-13/h1-2,5-6,13H,3-4,7-9H2