ethanedioic acid; 2-(3-methoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol

Systemtic Name: ethanedioic acid; 2-(3-methoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol Openeye Name: 2-(3-methoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzothiophen-6-ol; oxalic acid CAS Name: 2-(3-methoxyphenyl)-3-[4-[2-(1-pyrrolidinyl)ethoxy]phenoxy]-1-benzothiophen-6-ol; oxalic acid IUPAC Name: 2-(3-methoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol; oxalic acid Traditional Name: 2-(3-methoxyphenyl)-3-[4-(2-pyrrolidinoethoxy)phenoxy]benzothiophen-6-ol; oxalic acid Formula: C29H29NO8S MolecularWeight: 551.60746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCC5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCC5.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H27NO4S.C2H2O4/c1-30-23-6-4-5-19(17-23)27-26(24-12-7-20(29)18-25(24)33-27)32-22-10-8-21(9-11-22)31-16-15-28-13-2-3-14-28;3-1(4)2(5)6/h4-12,17-18,29H,2-3,13-16H2,1H3;(H,3,4)(H,5,6)