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

Systemtic Name: (E)-4-(2-bromophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid Openeye Name: (E)-4-(2-bromophenyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoic acid CAS Name: (E)-4-(2-bromophenyl)-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-3-butenoic acid IUPAC Name: (E)-4-(2-bromophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid Traditional Name: (E)-4-(2-bromophenyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoic acid Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O3S/c17-13-4-2-1-3-10(13)7-12(8-14(20)21)16-18-15(19-22-16)11-5-6-23-9-11/h1-7,9H,8H2,(H,20,21)/b12-7+