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

Systemtic Name: (1-methyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) N,N-dimethylcarbamate Openeye Name: (1-methyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic acid (1-methyl-6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinyl) ester IUPAC Name: (1-methyl-6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid (1-methyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ester Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=C(C3=CC=CN32)OC(=O)N(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=C(C3=CC=CN32)OC(=O)N(C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O2S/c1-15-9-7-13-18-19(15)24-14-8-12-17(24)20(26-22(25)23(2)3)21(27-18)16-10-5-4-6-11-16/h4-14H,1-3H3