5-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-yl-propyl]-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-yl-propyl]-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-yl-propyl]-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-[3-(2,2-dimethylpropoxy)-2-(1-pyrrolidinyl)propyl]-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-ylpropyl]-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(3-neopentyloxy-2-pyrrolidino-propyl)-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C27H38N2OS MolecularWeight: 438.66842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COCC(CN1C(CCSC2=CC=CC=C21)C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC(C)(C)COCC(CN1C(CCSC2=CC=CC=C21)C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C27H38N2OS/c1-27(2,3)21-30-20-23(28-16-9-10-17-28)19-29-24(22-11-5-4-6-12-22)15-18-31-26-14-8-7-13-25(26)29/h4-8,11-14,23-24H,9-10,15-21H2,1-3H3