(2-methylsulfanyl-4,5-dihydro-3H-1-benzazepin-6-yl) ethanoate

Systemtic Name: (2-methylsulfanyl-4,5-dihydro-3H-1-benzazepin-6-yl) ethanoate Openeye Name: (2-methylsulfanyl-4,5-dihydro-3H-1-benzazepin-6-yl) acetate CAS Name: acetic acid [2-(methylthio)-4,5-dihydro-3H-1-benzazepin-6-yl] ester IUPAC Name: (2-methylsulfanyl-4,5-dihydro-3H-1-benzazepin-6-yl) acetate Traditional Name: acetic acid [2-(methylthio)-4,5-dihydro-3H-1-benzazepin-6-yl] ester Formula: C13H15NO2S MolecularWeight: 249.3287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC2=C1CCCC(=N2)SC

Isomeric SMILES

CC(=O)OC1=CC=CC2=C1CCCC(=N2)SC

InChI

InChI=1S/C13H15NO2S/c1-9(15)16-12-7-4-6-11-10(12)5-3-8-13(14-11)17-2/h4,6-7H,3,5,8H2,1-2H3