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

Systemtic Name: ethyl 5-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-bromo-4-ethoxy-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-bromo-4-ethoxybenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-bromo-4-ethoxy-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)Br

InChI

InChI=1S/C18H17BrN2O4S/c1-4-24-14-7-6-11(8-13(14)19)16(22)21-17-12(9-20)10(3)15(26-17)18(23)25-5-2/h6-8H,4-5H2,1-3H3,(H,21,22)