1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethylphenyl)sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethylphenyl)sulfanyl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,4-dimethylphenyl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethylphenyl)sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,4-dimethylphenyl)thio]ethanone Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C18H18O3S/c1-12-3-5-15(9-13(12)2)22-11-16(19)14-4-6-17-18(10-14)21-8-7-20-17/h3-6,9-10H,7-8,11H2,1-2H3