sodium 5-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]pyridine-3-carboxylate

Systemtic Name: sodium 5-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]pyridine-3-carboxylate Openeye Name: sodium 5-[3-(2-benzyloxy-5-chloro-phenyl)-2-thienyl]pyridine-3-carboxylate CAS Name: sodium 5-[3-(5-chloro-2-phenylmethoxyphenyl)-2-thiophenyl]-3-pyridinecarboxylate IUPAC Name: sodium 5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine-3-carboxylate Traditional Name: sodium 5-[3-(2-benzoxy-5-chloro-phenyl)-2-thienyl]nicotinate Formula: C23H15ClNNaO3S MolecularWeight: 443.87787

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=C(SC=C3)C4=CC(=CN=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=C(SC=C3)C4=CC(=CN=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H16ClNO3S.Na/c24-18-6-7-21(28-14-15-4-2-1-3-5-15)20(11-18)19-8-9-29-22(19)16-10-17(23(26)27)13-25-12-16;/h1-13H,14H2,(H,26,27);/q;+1/p-1