2-(diethylamino)-5-methyl-1-(4-phenyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)hept-6-en-2-ol

Systemtic Name: 2-(diethylamino)-5-methyl-1-(4-phenyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)hept-6-en-2-ol Openeye Name: 2-(diethylamino)-5-methyl-1-(4-phenyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)hept-6-en-2-ol CAS Name: 2-(diethylamino)-5-methyl-1-(4-phenyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-6-hepten-2-ol IUPAC Name: 2-(diethylamino)-5-methyl-1-(4-phenyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)hept-6-en-2-ol Traditional Name: 2-(diethylamino)-5-methyl-1-(4-phenyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)hept-6-en-2-ol Formula: C27H38N2OS MolecularWeight: 438.66842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CCC(C)C=C)(CN1C(CCSC2=CC=CC=C21)C3=CC=CC=C3)O

Isomeric SMILES

CCN(CC)C(CCC(C)C=C)(CN1C(CCSC2=CC=CC=C21)C3=CC=CC=C3)O

InChI

InChI=1S/C27H38N2OS/c1-5-22(4)17-19-27(30,28(6-2)7-3)21-29-24(23-13-9-8-10-14-23)18-20-31-26-16-12-11-15-25(26)29/h5,8-16,22,24,30H,1,6-7,17-21H2,2-4H3