[2-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]-5-methoxy-phenyl] benzoate

Systemtic Name: [2-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]-5-methoxy-phenyl] benzoate Openeye Name: [2-[6-ethynyl-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]-5-methoxy-phenyl] benzoate CAS Name: benzoic acid [2-[6-ethynyl-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]-5-methoxyphenyl] ester IUPAC Name: [2-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]-5-methoxyphenyl] benzoate Traditional Name: benzoic acid [2-[6-ethynyl-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]-5-methoxy-phenyl] ester Formula: C38H33NO5S MolecularWeight: 615.73732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C#C)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C#C)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C38H33NO5S/c1-3-26-12-18-32-34(24-26)45-37(31-19-17-30(42-2)25-33(31)44-38(41)28-10-6-4-7-11-28)35(32)36(40)27-13-15-29(16-14-27)43-23-22-39-20-8-5-9-21-39/h1,4,6-7,10-19,24-25H,5,8-9,20-23H2,2H3