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

Systemtic Name: [4-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] benzoate Openeye Name: [4-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]benzothiophen-2-yl]phenyl] benzoate CAS Name: benzoic acid [4-[6-methyl-3-[oxo-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[6-methyl-3-[4-(2-pyrrolidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C35H31NO4S MolecularWeight: 561.68994

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Descriptors Computed from Structure

Canonical SMILES:

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)OCCN6CCCC6

Isomeric SMILES

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)OCCN6CCCC6

InChI

InChI=1S/C35H31NO4S/c1-24-9-18-30-31(23-24)41-34(26-12-16-29(17-13-26)40-35(38)27-7-3-2-4-8-27)32(30)33(37)25-10-14-28(15-11-25)39-22-21-36-19-5-6-20-36/h2-4,7-18,23H,5-6,19-22H2,1H3