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

Systemtic Name: ethyl 5-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-bromo-4-methoxy-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-bromo-4-methoxybenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-bromo-4-methoxy-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O4S/c1-4-24-17(22)14-9(2)11(8-19)16(25-14)20-15(21)10-5-6-13(23-3)12(18)7-10/h5-7H,4H2,1-3H3,(H,20,21)