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

Systemtic Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) cyclohexanecarboxylate Openeye Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid (6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinyl) ester IUPAC Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ester Formula: C25H23NO2S MolecularWeight: 401.52062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=C(SC3=CC=CC=C3N4C2=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=C(SC3=CC=CC=C3N4C2=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H23NO2S/c27-25(19-12-5-2-6-13-19)28-23-21-15-9-17-26(21)20-14-7-8-16-22(20)29-24(23)18-10-3-1-4-11-18/h1,3-4,7-11,14-17,19H,2,5-6,12-13H2