[4-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] benzoate

Systemtic Name: [4-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] benzoate Openeye Name: [4-[6-ethynyl-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] benzoate CAS Name: benzoic acid [4-[6-ethynyl-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[6-ethynyl-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C37H31NO4S MolecularWeight: 585.71134

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

Isomeric SMILES

C#CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

InChI

InChI=1S/C37H31NO4S/c1-2-26-11-20-32-33(25-26)43-36(28-14-18-31(19-15-28)42-37(40)29-9-5-3-6-10-29)34(32)35(39)27-12-16-30(17-13-27)41-24-23-38-21-7-4-8-22-38/h1,3,5-6,9-20,25H,4,7-8,21-24H2