2-[[6-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzothiophen-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzothiophen-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzothiophene-2-carbonyl]amino]acetic acid CAS Name: 2-[[[6-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1-benzothiophen-2-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1-benzothiophene-2-carbonyl]amino]acetic acid Traditional Name: 2-[[6-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzothiophene-2-carbonyl]amino]acetic acid Formula: C29H37NO5S MolecularWeight: 511.67278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C2=CC3=C(C=C2)C=C(S3)C(=O)NCC(=O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C2=CC3=C(C=C2)C=C(S3)C(=O)NCC(=O)O

InChI

InChI=1S/C29H37NO5S/c1-7-29(8-2,20-11-12-22(18(3)13-20)35-17-25(31)28(4,5)6)21-10-9-19-14-24(36-23(19)15-21)27(34)30-16-26(32)33/h9-15,25,31H,7-8,16-17H2,1-6H3,(H,30,34)(H,32,33)