sodium 2-[bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-yl-methyl]sulfanylethanoate

Systemtic Name: sodium 2-[bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-yl-methyl]sulfanylethanoate Openeye Name: sodium 2-[bis[4-(2-quinolylmethoxy)phenyl]-(2-thienyl)methyl]sulfanylacetate CAS Name: sodium 2-[[bis[4-(2-quinolinylmethoxy)phenyl]-thiophen-2-ylmethyl]thio]acetate IUPAC Name: sodium 2-[bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethyl]sulfanylacetate Traditional Name: sodium 2-[[bis[4-(2-quinolylmethoxy)phenyl]-(2-thienyl)methyl]thio]acetate Formula: C39H29N2NaO4S2 MolecularWeight: 676.77833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)(C7=CC=CS7)SCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)(C7=CC=CS7)SCC(=O)[O-].[Na+]

InChI

InChI=1S/C39H30N2O4S2.Na/c42-38(43)26-47-39(37-10-5-23-46-37,29-13-19-33(20-14-29)44-24-31-17-11-27-6-1-3-8-35(27)40-31)30-15-21-34(22-16-30)45-25-32-18-12-28-7-2-4-9-36(28)41-32;/h1-23H,24-26H2,(H,42,43);/q;+1/p-1