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

Systemtic Name: [4-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] pentanoate Openeye Name: [4-[3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]benzothiophen-2-yl]phenyl] pentanoate CAS Name: pentanoic acid [4-[3-[oxo-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] pentanoate Traditional Name: valeric acid [4-[3-[4-(2-pyrrolidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C32H33NO4S MolecularWeight: 527.67372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CCCCC(=O)OC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C32H33NO4S/c1-2-3-10-29(34)37-26-17-13-24(14-18-26)32-30(27-8-4-5-9-28(27)38-32)31(35)23-11-15-25(16-12-23)36-22-21-33-19-6-7-20-33/h4-5,8-9,11-18H,2-3,6-7,10,19-22H2,1H3