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

Systemtic Name: ethyl 4-cyano-5-[2-(4-cyclohexylphenoxy)ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-(4-cyclohexylphenoxy)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-(4-cyclohexylphenoxy)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-(4-cyclohexylphenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-(4-cyclohexylphenoxy)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=CC=C(C=C2)C3CCCCC3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=CC=C(C=C2)C3CCCCC3)C#N)C

InChI

InChI=1S/C23H26N2O4S/c1-3-28-23(27)21-15(2)19(13-24)22(30-21)25-20(26)14-29-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-12,16H,3-8,14H2,1-2H3,(H,25,26)