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

Systemtic Name: methyl 5-[2-(4-tert-butylphenoxy)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-12-15(10-21)18(27-17(12)19(24)25-5)22-16(23)11-26-14-8-6-13(7-9-14)20(2,3)4/h6-9H,11H2,1-5H3,(H,22,23)