8-bromanyl-5-(methoxymethyl)-5-methyl-3,4-dihydro-2H-1-benzothiepine

Systemtic Name: 8-bromanyl-5-(methoxymethyl)-5-methyl-3,4-dihydro-2H-1-benzothiepine Openeye Name: 8-bromo-5-(methoxymethyl)-5-methyl-3,4-dihydro-2H-1-benzothiepine CAS Name: 8-bromo-5-(methoxymethyl)-5-methyl-3,4-dihydro-2H-1-benzothiepin IUPAC Name: 8-bromo-5-(methoxymethyl)-5-methyl-3,4-dihydro-2H-1-benzothiepine Traditional Name: 8-bromo-5-(methoxymethyl)-5-methyl-3,4-dihydro-2H-1-benzothiepin Formula: C13H17BrOS MolecularWeight: 301.24248

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCSC2=C1C=CC(=C2)Br)COC

Isomeric SMILES

CC1(CCCSC2=C1C=CC(=C2)Br)COC

InChI

InChI=1S/C13H17BrOS/c1-13(9-15-2)6-3-7-16-12-8-10(14)4-5-11(12)13/h4-5,8H,3,6-7,9H2,1-2H3