1-[2-(4-hydroxyphenyl)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-6-yl]ethanone

Systemtic Name: 1-[2-(4-hydroxyphenyl)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-6-yl]ethanone Openeye Name: 1-[2-(4-hydroxyphenyl)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-6-yl]ethanone CAS Name: 1-[2-(4-hydroxyphenyl)-3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl]ethanone IUPAC Name: 1-[2-(4-hydroxyphenyl)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-6-yl]ethanone Traditional Name: 1-[2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-6-yl]ethanone Formula: C29H29NO3S MolecularWeight: 471.61046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)CC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)CC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C29H29NO3S/c1-20(31)23-8-13-26-27(29(34-28(26)19-23)22-6-9-24(32)10-7-22)18-21-4-11-25(12-5-21)33-17-16-30-14-2-3-15-30/h4-13,19,32H,2-3,14-18H2,1H3