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

Systemtic Name: (4-methoxyphenyl)-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Openeye Name: (4-methoxyphenyl)-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]methanone CAS Name: (4-methoxyphenyl)-[2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]methanone IUPAC Name: (4-methoxyphenyl)-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Traditional Name: (4-methoxyphenyl)-[2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]methanone Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C28H27NO3S/c1-31-22-12-8-20(9-13-22)27(30)26-24-6-2-3-7-25(24)33-28(26)21-10-14-23(15-11-21)32-19-18-29-16-4-5-17-29/h2-3,6-15H,4-5,16-19H2,1H3