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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [3-(3-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-(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-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [3-(3-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=CSC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O3S/c1-11-2-3-12(14(18)8-11)4-5-16(21)22-9-15-19-17(20-23-15)13-6-7-24-10-13/h2-8,10H,9H2,1H3/b5-4+