[6-ethynyl-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone

Systemtic Name: [6-ethynyl-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone Openeye Name: [6-ethynyl-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[3-(1-piperidyl)propoxy]phenyl]methanone CAS Name: [6-ethynyl-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-[3-(1-piperidinyl)propoxy]phenyl]methanone IUPAC Name: [6-ethynyl-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone Traditional Name: [6-ethynyl-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-(3-piperidinopropoxy)phenyl]methanone Formula: C31H29NO3S MolecularWeight: 495.63186

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCCN5CCCCC5

Isomeric SMILES

C#CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCCN5CCCCC5

InChI

InChI=1S/C31H29NO3S/c1-2-22-7-16-27-28(21-22)36-31(24-8-12-25(33)13-9-24)29(27)30(34)23-10-14-26(15-11-23)35-20-6-19-32-17-4-3-5-18-32/h1,7-16,21,33H,3-6,17-20H2