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

Systemtic Name: ethyl 5-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4S/c1-5-25-19(24)16-11(3)14(9-21)18(27-16)22-17(23)12(4)26-15-7-6-13(20)8-10(15)2/h6-8,12H,5H2,1-4H3,(H,22,23)