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

Systemtic Name: (4-chloranyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) N,N-dimethylcarbamate Openeye Name: (4-chloro-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic acid (4-chloro-6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinyl) ester IUPAC Name: (4-chloro-6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid (4-chloro-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ester Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=C(SC2=C(C=CC=C2Cl)N3C1=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)OC1=C(SC2=C(C=CC=C2Cl)N3C1=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN2O2S/c1-23(2)21(25)26-18-16-12-7-13-24(16)17-11-6-10-15(22)20(17)27-19(18)14-8-4-3-5-9-14/h3-13H,1-2H3