(3-methyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ethanoate

Systemtic Name: (3-methyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ethanoate Openeye Name: (3-methyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) acetate CAS Name: acetic acid (3-methyl-6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinyl) ester IUPAC Name: (3-methyl-6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) acetate Traditional Name: acetic acid (3-methyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ester Formula: C21H17NO2S MolecularWeight: 347.43018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N3C=CC=C3C(=C(S2)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N3C=CC=C3C(=C(S2)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C21H17NO2S/c1-14-10-11-17-19(13-14)25-21(16-7-4-3-5-8-16)20(24-15(2)23)18-9-6-12-22(17)18/h3-13H,1-2H3