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

Systemtic Name: ethyl 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]oxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[3-acetamido-3-(4-chlorophenyl)-1-oxopropoxy]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]oxymethyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O5S/c1-3-28-20(27)18-15(14(9-22)19(23)30-18)10-29-17(26)8-16(24-11(2)25)12-4-6-13(21)7-5-12/h4-7,16H,3,8,10,23H2,1-2H3,(H,24,25)