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

Systemtic Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) hexanoate Openeye Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) hexanoate CAS Name: hexanoic acid (6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinyl) ester IUPAC Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) hexanoate Traditional Name: hexanoic acid (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ester Formula: C24H23NO2S MolecularWeight: 389.50992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO2S/c1-2-3-5-16-22(26)27-23-20-14-10-17-25(20)19-13-8-9-15-21(19)28-24(23)18-11-6-4-7-12-18/h4,6-15,17H,2-3,5,16H2,1H3