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

Systemtic Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) pentanoate Openeye Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) pentanoate CAS Name: pentanoic acid (6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinyl) ester IUPAC Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) pentanoate Traditional Name: valeric acid (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ester Formula: C23H21NO2S MolecularWeight: 375.48334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO2S/c1-2-3-15-21(25)26-22-19-13-9-16-24(19)18-12-7-8-14-20(18)27-23(22)17-10-5-4-6-11-17/h4-14,16H,2-3,15H2,1H3