ethyl 5-azanyl-3-[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5S/c1-4-25-17(23)15-14(13(9-21)16(22)28-15)10-26-18(24)19(2,3)27-12-7-5-11(20)6-8-12/h5-8H,4,10,22H2,1-3H3