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

Systemtic Name: (E)-4-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid Openeye Name: (E)-4-(2-ethoxyphenyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoic acid CAS Name: (E)-4-(2-ethoxyphenyl)-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-3-butenoic acid IUPAC Name: (E)-4-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid Traditional Name: (E)-4-o-phenetyl-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=C(CC(=O)O)C2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

CCOC1=CC=CC=C1/C=C(\CC(=O)O)/C2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C18H16N2O4S/c1-2-23-15-6-4-3-5-12(15)9-14(10-16(21)22)18-19-17(20-24-18)13-7-8-25-11-13/h3-9,11H,2,10H2,1H3,(H,21,22)/b14-9+