ethyl 4-cyano-3-methyl-5-[2-(3-methylphenoxy)propanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(3-methylphenoxy)propanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[2-(3-methylphenoxy)propanoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-(3-methylphenoxy)-1-oxopropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[2-(3-methylphenoxy)propanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[2-(3-methylphenoxy)propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC2=CC=CC(=C2)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC2=CC=CC(=C2)C)C#N)C

InChI

InChI=1S/C19H20N2O4S/c1-5-24-19(23)16-12(3)15(10-20)18(26-16)21-17(22)13(4)25-14-8-6-7-11(2)9-14/h6-9,13H,5H2,1-4H3,(H,21,22)