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

Systemtic Name: (4-chloranyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) N,N-diethylcarbamate Openeye Name: (4-chloro-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) N,N-diethylcarbamate CAS Name: N,N-diethylcarbamic 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-diethylcarbamate Traditional Name: N,N-diethylcarbamic acid (4-chloro-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ester Formula: C23H21ClN2O2S MolecularWeight: 424.94304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O2S/c1-3-25(4-2)23(27)28-20-18-14-9-15-26(18)19-13-8-12-17(24)22(19)29-21(20)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3