1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-4-methoxy-phenyl]ethanone Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20O4S/c1-13(20)14-4-6-17(21-2)15(10-14)12-24-16-5-7-18-19(11-16)23-9-3-8-22-18/h4-7,10-11H,3,8-9,12H2,1-2H3