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

Systemtic Name: 2-bromanyl-1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-one Openeye Name: 2-bromo-1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-one CAS Name: 2-bromo-1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)-1-propanone IUPAC Name: 2-bromo-1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-one Traditional Name: 2-bromo-1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-one Formula: C13H15BrOS MolecularWeight: 299.2266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrOS/c1-9(14)13(15)11-5-6-12-10(8-11)4-2-3-7-16-12/h5-6,8-9H,2-4,7H2,1H3