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

Systemtic Name: ethyl 5-[4-(4-tert-butylphenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(4-tert-butylphenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-tert-butylphenoxy)butanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(4-tert-butylphenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C)C#N)C

InChI

InChI=1S/C23H28N2O4S/c1-6-28-22(27)20-15(2)18(14-24)21(30-20)25-19(26)8-7-13-29-17-11-9-16(10-12-17)23(3,4)5/h9-12H,6-8,13H2,1-5H3,(H,25,26)