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

Systemtic Name: methyl 4-cyano-5-[2-(4-cyclohexylphenoxy)ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)COC2=CC=C(C=C2)C3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)COC2=CC=C(C=C2)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C22H24N2O4S/c1-14-18(12-23)21(29-20(14)22(26)27-2)24-19(25)13-28-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,15H,3-7,13H2,1-2H3,(H,24,25)