(6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) butanoate

Systemtic Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) butanoate Openeye Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) butanoate CAS Name: butanoic acid (6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinyl) ester IUPAC Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) butanoate Traditional Name: butyric acid (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ester Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19NO2S/c1-2-9-20(24)25-21-18-13-8-15-23(18)17-12-6-7-14-19(17)26-22(21)16-10-4-3-5-11-16/h3-8,10-15H,2,9H2,1H3