2-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]azaniumyl]ethanoate Openeye Name: 2-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]ammonio]acetate CAS Name: 2-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]ammonio]acetate IUPAC Name: 2-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]azaniumyl]acetate Traditional Name: 2-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]ammonio]acetate Formula: C16H15NO2S MolecularWeight: 285.3608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=CC=CC=C3S1)[NH2+]CC(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2[C@@H](C3=CC=CC=C3S1)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C16H15NO2S/c18-15(19)9-17-16-12-6-2-1-5-11(12)10-20-14-8-4-3-7-13(14)16/h1-8,16-17H,9-10H2,(H,18,19)/t16-/m0/s1