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

Systemtic Name: [4-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] propanoate Openeye Name: [4-[3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]benzothiophen-2-yl]phenyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [4-[3-[4-(2-pyrrolidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C30H29NO4S MolecularWeight: 499.62056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29NO4S/c1-2-27(32)35-24-15-11-22(12-16-24)30-28(25-7-3-4-8-26(25)36-30)29(33)21-9-13-23(14-10-21)34-20-19-31-17-5-6-18-31/h3-4,7-16H,2,5-6,17-20H2,1H3