[2-(3,4-dimethoxyphenyl)-6-ethynyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

Systemtic Name: [2-(3,4-dimethoxyphenyl)-6-ethynyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Openeye Name: [2-(3,4-dimethoxyphenyl)-6-ethynyl-benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone CAS Name: [2-(3,4-dimethoxyphenyl)-6-ethynyl-1-benzothiophen-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone IUPAC Name: [2-(3,4-dimethoxyphenyl)-6-ethynyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Traditional Name: [2-(3,4-dimethoxyphenyl)-6-ethynyl-benzothiophen-3-yl]-[4-(2-piperidinoethoxy)phenyl]methanone Formula: C32H31NO4S MolecularWeight: 525.65784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C#C)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C#C)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5)OC

InChI

InChI=1S/C32H31NO4S/c1-4-22-8-14-26-29(20-22)38-32(24-11-15-27(35-2)28(21-24)36-3)30(26)31(34)23-9-12-25(13-10-23)37-19-18-33-16-6-5-7-17-33/h1,8-15,20-21H,5-7,16-19H2,2-3H3