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

Systemtic Name: 5-[3-(2,2-dimethylpropoxy)-2-(3-methoxypyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-[3-(2,2-dimethylpropoxy)-2-(3-methoxypyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-[3-(2,2-dimethylpropoxy)-2-(3-methoxy-1-pyrrolidinyl)propyl]-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-[3-(2,2-dimethylpropoxy)-2-(3-methoxypyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-[2-(3-methoxypyrrolidino)-3-neopentyloxy-propyl]-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C28H40N2O2S MolecularWeight: 468.6944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COCC(CN1C(CCSC2=CC=CC=C21)C3=CC=CC=C3)N4CCC(C4)OC

Isomeric SMILES

CC(C)(C)COCC(CN1C(CCSC2=CC=CC=C21)C3=CC=CC=C3)N4CCC(C4)OC

InChI

InChI=1S/C28H40N2O2S/c1-28(2,3)21-32-20-23(29-16-14-24(19-29)31-4)18-30-25(22-10-6-5-7-11-22)15-17-33-27-13-9-8-12-26(27)30/h5-13,23-25H,14-21H2,1-4H3