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

Systemtic Name: methyl 5-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

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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)OC)C)C#N)Br

Isomeric SMILES

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

InChI

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