2-[4-[2-[(3-ethyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]ethoxy]-3-propyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[2-[(3-ethyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]ethoxy]-3-propyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[2-[(3-ethylbenzothiophen-2-yl)sulfonyl-propyl-amino]ethoxy]-3-propyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[2-[(3-ethyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethoxy]-3-propylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[2-[(3-ethyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethoxy]-3-propylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[2-[(3-ethylbenzothiophen-2-yl)sulfonyl-propyl-amino]ethoxy]-3-propyl-phenoxy]-2-methyl-propionic acid Formula: C28H37NO6S2 MolecularWeight: 547.72648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC(C)(C)C(=O)O)OCCN(CCC)S(=O)(=O)C2=C(C3=CC=CC=C3S2)CC

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC(C)(C)C(=O)O)OCCN(CCC)S(=O)(=O)C2=C(C3=CC=CC=C3S2)CC

InChI

InChI=1S/C28H37NO6S2/c1-6-11-20-19-21(35-28(4,5)27(30)31)14-15-24(20)34-18-17-29(16-7-2)37(32,33)26-22(8-3)23-12-9-10-13-25(23)36-26/h9-10,12-15,19H,6-8,11,16-18H2,1-5H3,(H,30,31)