(E)-3-[4-[5-ethyl-2-(2-methylpropoxy)-3-propan-2-yl-phenyl]-1-benzothiophen-2-yl]but-2-enoic acid

Systemtic Name: (E)-3-[4-[5-ethyl-2-(2-methylpropoxy)-3-propan-2-yl-phenyl]-1-benzothiophen-2-yl]but-2-enoic acid Openeye Name: (E)-3-[4-(5-ethyl-2-isobutoxy-3-isopropyl-phenyl)benzothiophen-2-yl]but-2-enoic acid CAS Name: (E)-3-[4-[5-ethyl-2-(2-methylpropoxy)-3-propan-2-ylphenyl]-1-benzothiophen-2-yl]-2-butenoic acid IUPAC Name: (E)-3-[4-[5-ethyl-2-(2-methylpropoxy)-3-propan-2-ylphenyl]-1-benzothiophen-2-yl]but-2-enoic acid Traditional Name: (E)-3-[4-(5-ethyl-2-isobutoxy-3-isopropyl-phenyl)benzothiophen-2-yl]but-2-enoic acid Formula: C27H32O3S MolecularWeight: 436.60618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C2=C3C=C(SC3=CC=C2)C(=CC(=O)O)C)OCC(C)C)C(C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)C2=C3C=C(SC3=CC=C2)/C(=C/C(=O)O)/C)OCC(C)C)C(C)C

InChI

InChI=1S/C27H32O3S/c1-7-19-12-21(17(4)5)27(30-15-16(2)3)23(13-19)20-9-8-10-24-22(20)14-25(31-24)18(6)11-26(28)29/h8-14,16-17H,7,15H2,1-6H3,(H,28,29)/b18-11+