ethyl 5-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(4-bromophenoxy)-2-methyl-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)(C)OC2=CC=C(C=C2)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)(C)OC2=CC=C(C=C2)Br)C#N)C

InChI

InChI=1S/C19H19BrN2O4S/c1-5-25-17(23)15-11(2)14(10-21)16(27-15)22-18(24)19(3,4)26-13-8-6-12(20)7-9-13/h6-9H,5H2,1-4H3,(H,22,24)