2-(diethylamino)-1-[4-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-methyl-hex-5-en-1-ol

Systemtic Name: 2-(diethylamino)-1-[4-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-methyl-hex-5-en-1-ol Openeye Name: 2-(diethylamino)-1-[4-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-methyl-hex-5-en-1-ol CAS Name: 2-(diethylamino)-1-[4-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-methyl-5-hexen-1-ol IUPAC Name: 2-(diethylamino)-1-[4-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-methylhex-5-en-1-ol Traditional Name: 2-(diethylamino)-1-[4-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-methyl-hex-5-en-1-ol Formula: C27H38N2O2S MolecularWeight: 454.66782

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CCC(=C)C)C(N1C(CCSC2=CC=CC=C21)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CCN(CC)C(CCC(=C)C)C(N1C(CCSC2=CC=CC=C21)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C27H38N2O2S/c1-6-28(7-2)25(17-12-20(3)4)27(30)29-23(21-13-15-22(31-5)16-14-21)18-19-32-26-11-9-8-10-24(26)29/h8-11,13-16,23,25,27,30H,3,6-7,12,17-19H2,1-2,4-5H3