(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC2=NC(=NO2)C3=CSC=C3)Br

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OCC2=NC(=NO2)C3=CSC=C3)Br

InChI

InChI=1S/C16H11BrN2O3S/c17-13-4-1-11(2-5-13)3-6-15(20)21-9-14-18-16(19-22-14)12-7-8-23-10-12/h1-8,10H,9H2/b6-3+