ethyl 4-cyano-5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[(2-ethyl-1-oxohexyl)amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(2-ethylhexanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N

InChI

InChI=1S/C17H24N2O3S/c1-5-8-9-12(6-2)15(20)19-16-13(10-18)11(4)14(23-16)17(21)22-7-3/h12H,5-9H2,1-4H3,(H,19,20)