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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [3-(2-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(=C1)Br)C=CC(=O)OCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=C/C(=O)OCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C16H11BrN2O3S/c17-12-4-1-3-11(9-12)6-7-15(20)21-10-14-18-16(19-22-14)13-5-2-8-23-13/h1-9H,10H2/b7-6+