ethyl 4-cyano-3-methyl-5-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-8-30-23(29)21-16(2)19(13-26)22(32-21)27-20(28)14-31-18-11-9-17(10-12-18)25(6,7)15-24(3,4)5/h9-12H,8,14-15H2,1-7H3,(H,27,28)