methyl 5-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[(3,5-dibromo-2-methoxy-benzoyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[(3,5-dibromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(3,5-dibromo-2-methoxy-benzoyl)amino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C16H12Br2N2O4S MolecularWeight: 488.15048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC(=C2OC)Br)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC(=C2OC)Br)Br)C(=O)OC

InChI

InChI=1S/C16H12Br2N2O4S/c1-7-10(6-19)15(25-13(7)16(22)24-3)20-14(21)9-4-8(17)5-11(18)12(9)23-2/h4-5H,1-3H3,(H,20,21)