8-bromanyl-5-methyl-3,4-dihydro-2H-1-benzothiepine-5-carbaldehyde

Systemtic Name: 8-bromanyl-5-methyl-3,4-dihydro-2H-1-benzothiepine-5-carbaldehyde Openeye Name: 8-bromo-5-methyl-3,4-dihydro-2H-1-benzothiepine-5-carbaldehyde CAS Name: 8-bromo-5-methyl-3,4-dihydro-2H-1-benzothiepin-5-carboxaldehyde IUPAC Name: 8-bromo-5-methyl-3,4-dihydro-2H-1-benzothiepine-5-carbaldehyde Traditional Name: 8-bromo-5-methyl-3,4-dihydro-2H-1-benzothiepin-5-carbaldehyde Formula: C12H13BrOS MolecularWeight: 285.20002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCSC2=C1C=CC(=C2)Br)C=O

Isomeric SMILES

CC1(CCCSC2=C1C=CC(=C2)Br)C=O

InChI

InChI=1S/C12H13BrOS/c1-12(8-14)5-2-6-15-11-7-9(13)3-4-10(11)12/h3-4,7-8H,2,5-6H2,1H3