sodium 3-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]benzoate

Systemtic Name: sodium 3-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]benzoate Openeye Name: sodium 3-[[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]methylamino]benzoate CAS Name: sodium 3-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]benzoate IUPAC Name: sodium 3-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]benzoate Traditional Name: sodium 3-[[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]methylamino]benzoate Formula: C25H22NNaO6S MolecularWeight: 487.50005

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)CNC4=CC=CC(=C4)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)CNC4=CC=CC(=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C25H23NO6S.Na/c1-29-17-7-9-18(10-8-17)32-24-19-12-20(30-2)21(31-3)13-22(19)33-23(24)14-26-16-6-4-5-15(11-16)25(27)28;/h4-13,26H,14H2,1-3H3,(H,27,28);/q;+1/p-1