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

Systemtic Name: [10-(dimethylaminomethyl)-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ethanoate Openeye Name: [10-(dimethylaminomethyl)-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate CAS Name: acetic acid [10-(dimethylaminomethyl)-6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinyl] ester IUPAC Name: [10-(dimethylaminomethyl)-6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate Traditional Name: acetic acid [10-(dimethylaminomethyl)-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3CN(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3CN(C)C)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2S/c1-16(26)27-22-20-14-13-18(15-24(2)3)25(20)19-11-7-8-12-21(19)28-23(22)17-9-5-4-6-10-17/h4-14H,15H2,1-3H3