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

Systemtic Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) heptanoate Openeye Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) heptanoate CAS Name: heptanoic acid (6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinyl) ester IUPAC Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) heptanoate Traditional Name: enanthic acid (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ester Formula: C25H25NO2S MolecularWeight: 403.5365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO2S/c1-2-3-4-8-17-23(27)28-24-21-15-11-18-26(21)20-14-9-10-16-22(20)29-25(24)19-12-6-5-7-13-19/h5-7,9-16,18H,2-4,8,17H2,1H3