ethyl 5-[2-(4-tert-butylphenoxy)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)C#N)C

InChI

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