ethanedioic acid; N-methyl-N,2-bis[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-amine

Systemtic Name: ethanedioic acid; N-methyl-N,2-bis[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-amine Openeye Name: N-methyl-N,2-bis[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-amine; oxalic acid CAS Name: N-methyl-N,2-bis[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-amine; oxalic acid IUPAC Name: N-methyl-N,2-bis[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-amine; oxalic acid Traditional Name: methyl-[4-(2-pyrrolidinoethoxy)phenyl]-[2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]amine; oxalic acid Formula: C37H43N3O10S MolecularWeight: 721.81642

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OCCN2CCCC2)C3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCCN6CCCC6.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)OCCN2CCCC2)C3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCCN6CCCC6.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C33H39N3O2S.2C2H2O4/c1-34(27-12-16-29(17-13-27)38-25-23-36-20-6-7-21-36)32-30-8-2-3-9-31(30)39-33(32)26-10-14-28(15-11-26)37-24-22-35-18-4-5-19-35;2*3-1(4)2(5)6/h2-3,8-17H,4-7,18-25H2,1H3;2*(H,3,4)(H,5,6)