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

Systemtic Name: [5-oxidanyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-2-yl]-phenyl-methanone Openeye Name: [5-hydroxy-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-2-yl]-phenyl-methanone CAS Name: [5-hydroxy-3-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-2-yl]-phenylmethanone IUPAC Name: [5-hydroxy-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-2-yl]-phenylmethanone Traditional Name: [5-hydroxy-3-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-2-yl]-phenyl-methanone Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO3S/c29-21-10-13-24-23(18-21)25(27(32-24)26(30)20-6-2-1-3-7-20)19-8-11-22(12-9-19)31-17-16-28-14-4-5-15-28/h1-3,6-13,18,29H,4-5,14-17H2