1-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)ethanone

Systemtic Name: 1-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)ethanone Openeye Name: 1-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)ethanone CAS Name: 1-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)ethanone IUPAC Name: 1-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)ethanone Traditional Name: 1-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)ethanone Formula: C14H18OS MolecularWeight: 234.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SCC(CC2)(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SCC(CC2)(C)C

InChI

InChI=1S/C14H18OS/c1-10(15)11-4-5-13-12(8-11)6-7-14(2,3)9-16-13/h4-5,8H,6-7,9H2,1-3H3