5-(methoxymethyl)-5-propyl-3,4-dihydro-2H-1-benzothiepine-8-carbaldehyde

Systemtic Name: 5-(methoxymethyl)-5-propyl-3,4-dihydro-2H-1-benzothiepine-8-carbaldehyde Openeye Name: 5-(methoxymethyl)-5-propyl-3,4-dihydro-2H-1-benzothiepine-8-carbaldehyde CAS Name: 5-(methoxymethyl)-5-propyl-3,4-dihydro-2H-1-benzothiepin-8-carboxaldehyde IUPAC Name: 5-(methoxymethyl)-5-propyl-3,4-dihydro-2H-1-benzothiepine-8-carbaldehyde Traditional Name: 5-(methoxymethyl)-5-propyl-3,4-dihydro-2H-1-benzothiepin-8-carbaldehyde Formula: C16H22O2S MolecularWeight: 278.40968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCSC2=C1C=CC(=C2)C=O)COC

Isomeric SMILES

CCCC1(CCCSC2=C1C=CC(=C2)C=O)COC

InChI

InChI=1S/C16H22O2S/c1-3-7-16(12-18-2)8-4-9-19-15-10-13(11-17)5-6-14(15)16/h5-6,10-11H,3-4,7-9,12H2,1-2H3