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

Systemtic Name: [6-methoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]-phenyl-methanone Openeye Name: [6-methoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]-phenyl-methanone CAS Name: [6-methoxy-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]-phenylmethanone IUPAC Name: [6-methoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]-phenylmethanone Traditional Name: [6-methoxy-2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]-phenyl-methanone Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OCCN4CCCC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OCCN4CCCC4)C(=O)C5=CC=CC=C5

InChI

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