ethyl 4-cyano-3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[4-[4-(1,1-dimethylpropyl)phenoxy]butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[4-[4-(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]thiophene-2-carboxylate Traditional Name: 5-[4-(4-tert-amylphenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

InChI

InChI=1S/C24H30N2O4S/c1-6-24(4,5)17-10-12-18(13-11-17)30-14-8-9-20(27)26-22-19(15-25)16(3)21(31-22)23(28)29-7-2/h10-13H,6-9,14H2,1-5H3,(H,26,27)