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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-phenyl-1,3-oxazole Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-phenyl-oxazole CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-phenyloxazole IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-phenyl-1,3-oxazole Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-phenyl-oxazole Formula: C19H17NO3S MolecularWeight: 339.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=COC(=N3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=COC(=N3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C19H17NO3S/c1-2-5-14(6-3-1)19-20-15(12-23-19)13-24-16-7-8-17-18(11-16)22-10-4-9-21-17/h1-3,5-8,11-12H,4,9-10,13H2