(2-cyclohexa-1,5-dien-1-yl-6-oxidanyl-1-benzothiophen-3-yl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone

Systemtic Name: (2-cyclohexa-1,5-dien-1-yl-6-oxidanyl-1-benzothiophen-3-yl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Openeye Name: (2-cyclohexa-1,5-dien-1-yl-6-hydroxy-benzothiophen-3-yl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone CAS Name: [2-(1-cyclohexa-1,5-dienyl)-6-hydroxy-1-benzothiophen-3-yl]-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methanone IUPAC Name: (2-cyclohexa-1,5-dien-1-yl-6-hydroxy-1-benzothiophen-3-yl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Traditional Name: (2-cyclohexa-1,5-dien-1-yl-6-hydroxy-benzothiophen-3-yl)-[4-(2-pyrrolidinoethoxy)phenyl]methanone Formula: C27H27NO3S MolecularWeight: 445.57318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CCCC=C5

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CCCC=C5

InChI

InChI=1S/C27H27NO3S/c29-21-10-13-23-24(18-21)32-27(20-6-2-1-3-7-20)25(23)26(30)19-8-11-22(12-9-19)31-17-16-28-14-4-5-15-28/h2,6-13,18,29H,1,3-5,14-17H2