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

Systemtic Name: ethyl 5-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H14Br2N2O4S MolecularWeight: 502.17706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2OC)Br)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2OC)Br)Br)C#N)C

InChI

InChI=1S/C17H14Br2N2O4S/c1-4-25-17(23)14-8(2)11(7-20)16(26-14)21-15(22)10-5-9(18)6-12(19)13(10)24-3/h5-6H,4H2,1-3H3,(H,21,22)