(E)-2-(1-benzothiophen-2-yl)-4-[3,5-di(propan-2-yl)-2-propoxy-phenyl]but-2-enoic acid

Systemtic Name: (E)-2-(1-benzothiophen-2-yl)-4-[3,5-di(propan-2-yl)-2-propoxy-phenyl]but-2-enoic acid Openeye Name: (E)-2-(benzothiophen-2-yl)-4-(3,5-diisopropyl-2-propoxy-phenyl)but-2-enoic acid CAS Name: (E)-2-(1-benzothiophen-2-yl)-4-[3,5-di(propan-2-yl)-2-propoxyphenyl]-2-butenoic acid IUPAC Name: (E)-2-(1-benzothiophen-2-yl)-4-[3,5-di(propan-2-yl)-2-propoxyphenyl]but-2-enoic acid Traditional Name: (E)-2-(benzothiophen-2-yl)-4-(3,5-diisopropyl-2-propoxy-phenyl)but-2-enoic acid Formula: C27H32O3S MolecularWeight: 436.60618

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C(C)C)C(C)C)CC=C(C2=CC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1C(C)C)C(C)C)C/C=C(/C2=CC3=CC=CC=C3S2)\C(=O)O

InChI

InChI=1S/C27H32O3S/c1-6-13-30-26-20(14-21(17(2)3)15-23(26)18(4)5)11-12-22(27(28)29)25-16-19-9-7-8-10-24(19)31-25/h7-10,12,14-18H,6,11,13H2,1-5H3,(H,28,29)/b22-12-