1-(bromomethyl)-8-methoxy-7-propyl-3,4-dihydro-1H-isothiochromene

Systemtic Name: 1-(bromomethyl)-8-methoxy-7-propyl-3,4-dihydro-1H-isothiochromene Openeye Name: 1-(bromomethyl)-8-methoxy-7-propyl-isothiochromane CAS Name: 1-(bromomethyl)-8-methoxy-7-propyl-3,4-dihydro-1H-2-benzothiopyran IUPAC Name: 1-(bromomethyl)-8-methoxy-7-propyl-3,4-dihydro-1H-isothiochromene Traditional Name: 1-(bromomethyl)-8-methoxy-7-propyl-isothiochroman Formula: C14H19BrOS MolecularWeight: 315.26906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(CCSC2CBr)C=C1)OC

Isomeric SMILES

CCCC1=C(C2=C(CCSC2CBr)C=C1)OC

InChI

InChI=1S/C14H19BrOS/c1-3-4-11-6-5-10-7-8-17-12(9-15)13(10)14(11)16-2/h5-6,12H,3-4,7-9H2,1-2H3