2-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methoxy]isoindole-1,3-dione

Systemtic Name: 2-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methoxy]isoindole-1,3-dione Openeye Name: 2-[cyclohexyl-[5-(2-quinolylmethoxy)benzothiophen-2-yl]methoxy]isoindoline-1,3-dione CAS Name: 2-[cyclohexyl-[5-(2-quinolinylmethoxy)-1-benzothiophen-2-yl]methoxy]isoindole-1,3-dione IUPAC Name: 2-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methoxy]isoindole-1,3-dione Traditional Name: 2-[cyclohexyl-[5-(2-quinolylmethoxy)benzothiophen-2-yl]methoxy]isoindoline-1,3-quinone Formula: C33H28N2O4S MolecularWeight: 548.65142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC3=C(S2)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)ON6C(=O)C7=CC=CC=C7C6=O

Isomeric SMILES

C1CCC(CC1)C(C2=CC3=C(S2)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)ON6C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C33H28N2O4S/c36-32-26-11-5-6-12-27(26)33(37)35(32)39-31(22-9-2-1-3-10-22)30-19-23-18-25(16-17-29(23)40-30)38-20-24-15-14-21-8-4-7-13-28(21)34-24/h4-8,11-19,22,31H,1-3,9-10,20H2