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

Systemtic Name: (2-cyclododecyl-6-oxidanyl-1-benzothiophen-3-yl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Openeye Name: (2-cyclododecyl-6-hydroxy-benzothiophen-3-yl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone CAS Name: (2-cyclododecyl-6-hydroxy-1-benzothiophen-3-yl)-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methanone IUPAC Name: (2-cyclododecyl-6-hydroxy-1-benzothiophen-3-yl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Traditional Name: (2-cyclododecyl-6-hydroxy-benzothiophen-3-yl)-[4-(2-pyrrolidinoethoxy)phenyl]methanone Formula: C33H43NO3S MolecularWeight: 533.76442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

C1CCCCCC(CCCCC1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C33H43NO3S/c35-27-16-19-29-30(24-27)38-33(26-12-8-6-4-2-1-3-5-7-9-13-26)31(29)32(36)25-14-17-28(18-15-25)37-23-22-34-20-10-11-21-34/h14-19,24,26,35H,1-13,20-23H2