3-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol hydrochloride

Systemtic Name: 3-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol hydrochloride Openeye Name: 3-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol hydrochloride CAS Name: 3-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol hydrochloride IUPAC Name: 3-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol hydrochloride Traditional Name: 3-[4-(2-diethylaminoethyloxy)benzyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol hydrochloride Formula: C27H30ClNO3S MolecularWeight: 484.05

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O.Cl

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O.Cl

InChI

InChI=1S/C27H29NO3S.ClH/c1-3-28(4-2)15-16-31-23-12-5-19(6-13-23)17-25-24-14-11-22(30)18-26(24)32-27(25)20-7-9-21(29)10-8-20;/h5-14,18,29-30H,3-4,15-17H2,1-2H3;1H