(6-naphthalen-1-ylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ethanoate

Systemtic Name: (6-naphthalen-1-ylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ethanoate Openeye Name: [6-(1-naphthyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate CAS Name: acetic acid [6-(1-naphthalenyl)-7-pyrrolo[2,1-d][1,5]benzothiazepinyl] ester IUPAC Name: (6-naphthalen-1-ylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) acetate Traditional Name: acetic acid [6-(1-naphthyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester Formula: C24H17NO2S MolecularWeight: 383.46228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H17NO2S/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/h2-15H,1H3