2-bromanyl-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone

Systemtic Name: 2-bromanyl-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone Openeye Name: 2-bromo-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone CAS Name: 2-bromo-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone IUPAC Name: 2-bromo-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone Traditional Name: 2-bromo-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone Formula: C12H14BrNO2S MolecularWeight: 316.21406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)C(=O)CBr

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)C(=O)CBr

InChI

InChI=1S/C12H14BrNO2S/c1-16-10-2-3-11-9(6-10)8-14(4-5-17-11)12(15)7-13/h2-3,6H,4-5,7-8H2,1H3