2-[[2-[3-[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzothiophen-6-yl]carbonylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[[2-[3-[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzothiophen-6-yl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[2-[1-ethyl-1-[4-(2-ethyl-2-hydroxy-butoxy)-3-methyl-phenyl]propyl]benzothiophene-6-carbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[2-[3-[4-(2-ethyl-2-hydroxybutoxy)-3-methylphenyl]pentan-3-yl]-1-benzothiophen-6-yl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[2-[3-[4-(2-ethyl-2-hydroxybutoxy)-3-methylphenyl]pentan-3-yl]-1-benzothiophene-6-carbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[2-[1-ethyl-1-[4-(2-ethyl-2-hydroxy-butoxy)-3-methyl-phenyl]propyl]benzothiophene-6-carbonyl]amino]-2-methyl-propionic acid Formula: C31H41NO5S MolecularWeight: 539.72594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(COC1=C(C=C(C=C1)C(CC)(CC)C2=CC3=C(S2)C=C(C=C3)C(=O)NC(C)(C)C(=O)O)C)O

Isomeric SMILES

CCC(CC)(COC1=C(C=C(C=C1)C(CC)(CC)C2=CC3=C(S2)C=C(C=C3)C(=O)NC(C)(C)C(=O)O)C)O

InChI

InChI=1S/C31H41NO5S/c1-8-30(36,9-2)19-37-24-15-14-23(16-20(24)5)31(10-3,11-4)26-18-21-12-13-22(17-25(21)38-26)27(33)32-29(6,7)28(34)35/h12-18,36H,8-11,19H2,1-7H3,(H,32,33)(H,34,35)