1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-piperidin-1-yl-3,5-dihydro-2H-1,4-benzothiazepin-3-yl]propan-1-one

Systemtic Name: 1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-piperidin-1-yl-3,5-dihydro-2H-1,4-benzothiazepin-3-yl]propan-1-one Openeye Name: 1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-(1-piperidyl)-3,5-dihydro-2H-1,4-benzothiazepin-3-yl]propan-1-one CAS Name: 1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-(1-piperidinyl)-3,5-dihydro-2H-1,4-benzothiazepin-3-yl]-1-propanone IUPAC Name: 1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-piperidin-1-yl-3,5-dihydro-2H-1,4-benzothiazepin-3-yl]propan-1-one Traditional Name: 1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-piperidino-3,5-dihydro-2H-1,4-benzothiazepin-3-yl]propan-1-one Formula: C27H40N2O2S MolecularWeight: 456.6837

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(SC2=CC=CC=C2CN1N3CCCCC3)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCC(=O)C1C(SC2=CC=CC=C2CN1N3CCCCC3)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C27H40N2O2S/c1-5-24(30)26-27(31-19-16-22(4)13-11-12-21(2)3)32-25-15-8-7-14-23(25)20-29(26)28-17-9-6-10-18-28/h7-8,12,14-16,26-27H,5-6,9-11,13,17-20H2,1-4H3/b22-16+