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

Systemtic Name: sodium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]ethanoate Openeye Name: sodium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]methylamino]acetate CAS Name: sodium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]acetate IUPAC Name: sodium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]acetate Traditional Name: sodium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]methylamino]acetate Formula: C20H20NNaO6S MolecularWeight: 425.43067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S.Na/c1-24-12-4-6-13(7-5-12)27-20-14-8-15(25-2)16(26-3)9-17(14)28-18(20)10-21-11-19(22)23;/h4-9,21H,10-11H2,1-3H3,(H,22,23);/q;+1/p-1