2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(5-methylthiophen-2-yl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(5-methylthiophen-2-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(5-methyl-2-thienyl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(5-methyl-2-thiophenyl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(5-methylthiophen-2-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(5-methyl-2-thienyl)ethanone Formula: C16H16O3S2 MolecularWeight: 320.42644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H16O3S2/c1-11-3-6-16(21-11)13(17)10-20-12-4-5-14-15(9-12)19-8-2-7-18-14/h3-6,9H,2,7-8,10H2,1H3