2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,3-benzoxazole

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,3-benzoxazole Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,3-benzoxazole CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1,3-benzoxazole IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,3-benzoxazole Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1,3-benzoxazole Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NC4=CC=CC=C4O3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NC4=CC=CC=C4O3)OC1

InChI

InChI=1S/C17H15NO3S/c1-2-5-14-13(4-1)18-17(21-14)11-22-12-6-7-15-16(10-12)20-9-3-8-19-15/h1-2,4-7,10H,3,8-9,11H2