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

Systemtic Name: (E)-4-(2-ethoxynaphthalen-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid Openeye Name: (E)-4-(2-ethoxy-1-naphthyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoic acid CAS Name: (E)-4-(2-ethoxy-1-naphthalenyl)-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-3-butenoic acid IUPAC Name: (E)-4-(2-ethoxynaphthalen-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid Traditional Name: (E)-4-(2-ethoxy-1-naphthyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C=C(CC(=O)O)C3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)/C=C(\CC(=O)O)/C3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C22H18N2O4S/c1-2-27-19-8-7-14-5-3-4-6-17(14)18(19)11-16(12-20(25)26)22-23-21(24-28-22)15-9-10-29-13-15/h3-11,13H,2,12H2,1H3,(H,25,26)/b16-11+