1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)ethanone

Systemtic Name: 1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)ethanone Openeye Name: 1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)ethanone CAS Name: 1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)ethanone IUPAC Name: 1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)ethanone Traditional Name: 1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)ethanone Formula: C12H14OS MolecularWeight: 206.30396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SCCCC2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SCCCC2

InChI

InChI=1S/C12H14OS/c1-9(13)10-5-6-12-11(8-10)4-2-3-7-14-12/h5-6,8H,2-4,7H2,1H3