ethyl 5-[2-(4-chloranyl-3,5-dimethyl-phenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-chloranyl-3,5-dimethyl-phenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-(4-chloro-3,5-dimethyl-phenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-(4-chloro-3,5-dimethyl-phenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c1-6-26-20(25)17-12(4)15(9-22)19(28-17)23-18(24)13(5)27-14-7-10(2)16(21)11(3)8-14/h7-8,13H,6H2,1-5H3,(H,23,24)