sodium 2-methyl-4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]benzoate

Systemtic Name: sodium 2-methyl-4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]benzoate Openeye Name: sodium 4-[3-(2-benzyloxy-5-methylsulfanyl-phenyl)-2-thienyl]-2-methyl-benzoate CAS Name: sodium 2-methyl-4-[3-[5-(methylthio)-2-phenylmethoxyphenyl]-2-thiophenyl]benzoate IUPAC Name: sodium 2-methyl-4-[3-(5-methylsulfanyl-2-phenylmethoxyphenyl)thiophen-2-yl]benzoate Traditional Name: sodium 4-[3-[2-benzoxy-5-(methylthio)phenyl]-2-thienyl]-2-methyl-benzoate Formula: C26H21NaO3S2 MolecularWeight: 468.56291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C=CS2)C3=C(C=CC(=C3)SC)OCC4=CC=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C=CS2)C3=C(C=CC(=C3)SC)OCC4=CC=CC=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C26H22O3S2.Na/c1-17-14-19(8-10-21(17)26(27)28)25-22(12-13-31-25)23-15-20(30-2)9-11-24(23)29-16-18-6-4-3-5-7-18;/h3-15H,16H2,1-2H3,(H,27,28);/q;+1/p-1