methyl 2-[[(E)-4,4,4-tris(bromanyl)-2-cyano-but-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-4,4,4-tris(bromanyl)-2-cyano-but-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-4,4,4-tribromo-2-cyano-but-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-4,4,4-tribromo-2-cyano-1-oxobut-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-4,4,4-tribromo-2-cyanobut-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-4,4,4-tribromo-2-cyano-but-2-enoyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C11H7Br3N2O3S MolecularWeight: 486.96188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)C(=CC(Br)(Br)Br)C#N

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)/C(=C/C(Br)(Br)Br)/C#N

InChI

InChI=1S/C11H7Br3N2O3S/c1-19-10(18)7-2-3-20-9(7)16-8(17)6(5-15)4-11(12,13)14/h2-4H,1H3,(H,16,17)/b6-4+