1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,4-dimethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,4-dimethylphenyl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,4-dimethylphenyl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(3,4-dimethylphenyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,4-dimethylphenyl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(3,4-dimethylphenyl)thio]ethanone Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C19H20O3S/c1-13-4-6-16(10-14(13)2)23-12-17(20)15-5-7-18-19(11-15)22-9-3-8-21-18/h4-7,10-11H,3,8-9,12H2,1-2H3