phenyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone

Systemtic Name: phenyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Openeye Name: phenyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]methanone CAS Name: phenyl-[2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]methanone IUPAC Name: phenyl-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Traditional Name: phenyl-[2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]methanone Formula: C27H25NO2S MolecularWeight: 427.5579

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=CC=CC=C4S3)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=CC=CC=C4S3)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25NO2S/c29-26(20-8-2-1-3-9-20)25-23-10-4-5-11-24(23)31-27(25)21-12-14-22(15-13-21)30-19-18-28-16-6-7-17-28/h1-5,8-15H,6-7,16-19H2