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

Systemtic Name: (2-chloranyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ethanoate Openeye Name: (2-chloro-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) acetate CAS Name: acetic acid (2-chloro-6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinyl) ester IUPAC Name: (2-chloro-6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) acetate Traditional Name: acetic acid (2-chloro-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ester Formula: C20H14ClNO2S MolecularWeight: 367.84866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(SC2=C(C=C(C=C2)Cl)N3C1=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=C(SC2=C(C=C(C=C2)Cl)N3C1=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H14ClNO2S/c1-13(23)24-19-16-8-5-11-22(16)17-12-15(21)9-10-18(17)25-20(19)14-6-3-2-4-7-14/h2-12H,1H3