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

Systemtic Name: ethyl 5-[2-(3-chloranylphenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-(3-chlorophenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-chlorophenoxy)propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-(3-chlorophenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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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)Cl)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4S/c1-4-24-18(23)15-10(2)14(9-20)17(26-15)21-16(22)11(3)25-13-7-5-6-12(19)8-13/h5-8,11H,4H2,1-3H3,(H,21,22)