ethyl 4-cyano-3-methyl-5-[4-(4-propylphenoxy)butanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[4-(4-propylphenoxy)butanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[4-(4-propylphenoxy)butanoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-4-(4-propylphenoxy)butyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[4-(4-propylphenoxy)butanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[4-(4-propylphenoxy)butanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

InChI

InChI=1S/C22H26N2O4S/c1-4-7-16-9-11-17(12-10-16)28-13-6-8-19(25)24-21-18(14-23)15(3)20(29-21)22(26)27-5-2/h9-12H,4-8,13H2,1-3H3,(H,24,25)