(6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl) ethanoate

Systemtic Name: (6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl) ethanoate Openeye Name: [6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl] acetate CAS Name: acetic acid [6-(1-naphthalenyl)-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl] ester IUPAC Name: (6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl) acetate Traditional Name: acetic acid [6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl] ester Formula: C24H18NO2S+ MolecularWeight: 384.47022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(SC2=CC=CC=C2[N+]3=C1CC=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(=O)OC1=C(SC2=CC=CC=C2[N+]3=C1CC=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H18NO2S/c1-16(26)27-23-21-13-7-15-25(21)20-12-4-5-14-22(20)28-24(23)19-11-6-9-17-8-2-3-10-18(17)19/h2-12,14-15H,13H2,1H3/q+1