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

Systemtic Name: sodium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]-3-phenyl-propanoate Openeye Name: sodium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]methylamino]-3-phenyl-propanoate CAS Name: sodium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]-3-phenylpropanoate IUPAC Name: sodium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]-3-phenylpropanoate Traditional Name: sodium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]methylamino]-3-phenyl-propionate Formula: C27H26NNaO6S MolecularWeight: 515.55321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)CNC(CC4=CC=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)CNC(CC4=CC=CC=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C27H27NO6S.Na/c1-31-18-9-11-19(12-10-18)34-26-20-14-22(32-2)23(33-3)15-24(20)35-25(26)16-28-21(27(29)30)13-17-7-5-4-6-8-17;/h4-12,14-15,21,28H,13,16H2,1-3H3,(H,29,30);/q;+1/p-1