[4-(6-bromanylhexoxy)-3,5-dimethyl-phenyl]-(2-ethyl-1-benzothiophen-3-yl)methanone

Systemtic Name: [4-(6-bromanylhexoxy)-3,5-dimethyl-phenyl]-(2-ethyl-1-benzothiophen-3-yl)methanone Openeye Name: [4-(6-bromohexoxy)-3,5-dimethyl-phenyl]-(2-ethylbenzothiophen-3-yl)methanone CAS Name: [4-(6-bromohexoxy)-3,5-dimethylphenyl]-(2-ethyl-1-benzothiophen-3-yl)methanone IUPAC Name: [4-(6-bromohexoxy)-3,5-dimethylphenyl]-(2-ethyl-1-benzothiophen-3-yl)methanone Traditional Name: [4-(6-bromohexoxy)-3,5-dimethyl-phenyl]-(2-ethylbenzothiophen-3-yl)methanone Formula: C25H29BrO2S MolecularWeight: 473.46556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C(=C3)C)OCCCCCCBr)C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C(=C3)C)OCCCCCCBr)C

InChI

InChI=1S/C25H29BrO2S/c1-4-21-23(20-11-7-8-12-22(20)29-21)24(27)19-15-17(2)25(18(3)16-19)28-14-10-6-5-9-13-26/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3