(E)-4-(4-tert-butylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid

Systemtic Name: (E)-4-(4-tert-butylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid Openeye Name: (E)-4-(4-tert-butylphenyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoic acid CAS Name: (E)-4-(4-tert-butylphenyl)-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-3-butenoic acid IUPAC Name: (E)-4-(4-tert-butylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid Traditional Name: (E)-4-(4-tert-butylphenyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(CC(=O)O)C2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(\CC(=O)O)/C2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C20H20N2O3S/c1-20(2,3)16-6-4-13(5-7-16)10-15(11-17(23)24)19-21-18(22-25-19)14-8-9-26-12-14/h4-10,12H,11H2,1-3H3,(H,23,24)/b15-10+