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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-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-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)OCC2=NC(=NO2)C3=CC=CS3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)OCC2=NC(=NO2)C3=CC=CS3)Br

InChI

InChI=1S/C17H13BrN2O3S/c1-11-4-5-12(13(18)9-11)6-7-16(21)22-10-15-19-17(20-23-15)14-3-2-8-24-14/h2-9H,10H2,1H3/b7-6+