ethyl 5-[3-(4-tert-butylphenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(4-tert-butylphenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(4-tert-butylphenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(4-tert-butylphenyl)-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-tert-butylphenyl)propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-(4-tert-butylphenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC=C(C=C2)C(C)(C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC=C(C=C2)C(C)(C)C)C#N)C

InChI

InChI=1S/C22H26N2O3S/c1-6-27-21(26)19-14(2)17(13-23)20(28-19)24-18(25)12-9-15-7-10-16(11-8-15)22(3,4)5/h7-8,10-11H,6,9,12H2,1-5H3,(H,24,25)