ethyl 5-[2-(4-butan-2-ylphenoxy)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-butan-2-ylphenoxy)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(4-sec-butylphenoxy)acetyl]amino]thiophene-2-carboxylate CAS Name: 5-[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(4-sec-butylphenoxy)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

InChI

InChI=1S/C21H24N2O4S/c1-5-13(3)15-7-9-16(10-8-15)27-12-18(24)23-20-17(11-22)14(4)19(28-20)21(25)26-6-2/h7-10,13H,5-6,12H2,1-4H3,(H,23,24)