(E)-4-(3-methoxy-2-propan-2-yloxy-phenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid

Systemtic Name: (E)-4-(3-methoxy-2-propan-2-yloxy-phenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid Openeye Name: (E)-4-(2-isopropoxy-3-methoxy-phenyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoic acid CAS Name: (E)-4-(3-methoxy-2-propan-2-yloxyphenyl)-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-3-butenoic acid IUPAC Name: (E)-4-(3-methoxy-2-propan-2-yloxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid Traditional Name: (E)-4-(2-isopropoxy-3-methoxy-phenyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1OC)C=C(CC(=O)O)C2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

CC(C)OC1=C(C=CC=C1OC)/C=C(\CC(=O)O)/C2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C20H20N2O5S/c1-12(2)26-18-13(5-4-6-16(18)25-3)9-15(10-17(23)24)20-21-19(22-27-20)14-7-8-28-11-14/h4-9,11-12H,10H2,1-3H3,(H,23,24)/b15-9+