(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]-2-propenoate IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acrylate Formula: C13H10BrN2O5S- MolecularWeight: 386.1979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)SC(=CC2=CC(=C(C(=C2)Br)O)OC)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)S/C(=C/C2=CC(=C(C(=C2)Br)O)OC)/C(=O)[O-]

InChI

InChI=1S/C13H11BrN2O5S/c1-6-15-16-13(21-6)22-10(12(18)19)5-7-3-8(14)11(17)9(4-7)20-2/h3-5,17H,1-2H3,(H,18,19)/p-1/b10-5+