2-(1-benzothiophen-2-yl)-3-[phenyl(2-pyrrolidin-1-ylethoxy)methyl]benzaldehyde

Systemtic Name: 2-(1-benzothiophen-2-yl)-3-[phenyl(2-pyrrolidin-1-ylethoxy)methyl]benzaldehyde Openeye Name: 2-(benzothiophen-2-yl)-3-[phenyl(2-pyrrolidin-1-ylethoxy)methyl]benzaldehyde CAS Name: 2-(1-benzothiophen-2-yl)-3-[phenyl-[2-(1-pyrrolidinyl)ethoxy]methyl]benzaldehyde IUPAC Name: 2-(1-benzothiophen-2-yl)-3-[phenyl(2-pyrrolidin-1-ylethoxy)methyl]benzaldehyde Traditional Name: 2-(benzothiophen-2-yl)-3-[phenyl(2-pyrrolidinoethoxy)methyl]benzaldehyde Formula: C28H27NO2S MolecularWeight: 441.58448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC(C2=CC=CC=C2)C3=CC=CC(=C3C4=CC5=CC=CC=C5S4)C=O

Isomeric SMILES

C1CCN(C1)CCOC(C2=CC=CC=C2)C3=CC=CC(=C3C4=CC5=CC=CC=C5S4)C=O

InChI

InChI=1S/C28H27NO2S/c30-20-23-12-8-13-24(27(23)26-19-22-11-4-5-14-25(22)32-26)28(21-9-2-1-3-10-21)31-18-17-29-15-6-7-16-29/h1-5,8-14,19-20,28H,6-7,15-18H2