ethanedioic acid; 5-[[2-methyl-4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]methyl]pyrrolidin-2-one

Systemtic Name: ethanedioic acid; 5-[[2-methyl-4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]methyl]pyrrolidin-2-one Openeye Name: 5-[[2-methyl-4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-2-yl]phenoxy]methyl]pyrrolidin-2-one; oxalic acid CAS Name: 5-[[2-methyl-4-[3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]methyl]-2-pyrrolidinone; oxalic acid IUPAC Name: 5-[[2-methyl-4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]methyl]pyrrolidin-2-one; oxalic acid Traditional Name: 5-[[2-methyl-4-[3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-2-yl]phenoxy]methyl]-2-pyrrolidone; oxalic acid Formula: C35H38N2O7S MolecularWeight: 630.75042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C3=CC=CC=C3S2)CC4=CC=C(C=C4)OCCN5CCCC5)OCC6CCC(=O)N6.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C3=CC=CC=C3S2)CC4=CC=C(C=C4)OCCN5CCCC5)OCC6CCC(=O)N6.C(=O)(C(=O)O)O

InChI

InChI=1S/C33H36N2O3S.C2H2O4/c1-23-20-25(10-14-30(23)38-22-26-11-15-32(36)34-26)33-29(28-6-2-3-7-31(28)39-33)21-24-8-12-27(13-9-24)37-19-18-35-16-4-5-17-35;3-1(4)2(5)6/h2-3,6-10,12-14,20,26H,4-5,11,15-19,21-22H2,1H3,(H,34,36);(H,3,4)(H,5,6)