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

Systemtic Name: 1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-one Openeye Name: 1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-one CAS Name: 1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)-1-propanone IUPAC Name: 1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-one Traditional Name: 1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-one Formula: C13H16OS MolecularWeight: 220.33054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16OS/c1-2-12(14)10-6-7-13-11(9-10)5-3-4-8-15-13/h6-7,9H,2-5,8H2,1H3