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

Systemtic Name: ethyl 4-cyano-5-(decanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(decanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-(1-oxodecylamino)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(decanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(caprylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N

Isomeric SMILES

CCCCCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N

InChI

InChI=1S/C19H28N2O3S/c1-4-6-7-8-9-10-11-12-16(22)21-18-15(13-20)14(3)17(25-18)19(23)24-5-2/h4-12H2,1-3H3,(H,21,22)