[2-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] adamantane-2-carboxylate

Systemtic Name: [2-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] adamantane-2-carboxylate Openeye Name: [2-[3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]benzothiophen-2-yl]phenyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[3-[oxo-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [2-[3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[3-[4-(2-pyrrolidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C38H39NO4S MolecularWeight: 605.78556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=CC=CC=C43)C5=CC=CC=C5OC(=O)C6C7CC8CC(C7)CC6C8

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=CC=CC=C43)C5=CC=CC=C5OC(=O)C6C7CC8CC(C7)CC6C8

InChI

InChI=1S/C38H39NO4S/c40-36(26-11-13-29(14-12-26)42-18-17-39-15-5-6-16-39)35-31-8-2-4-10-33(31)44-37(35)30-7-1-3-9-32(30)43-38(41)34-27-20-24-19-25(22-27)23-28(34)21-24/h1-4,7-14,24-25,27-28,34H,5-6,15-23H2