ethyl 5-azanyl-4-cyano-3-[3-(2-methylphenoxy)propanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[3-(2-methylphenoxy)propanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[3-(2-methylphenoxy)propanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-(2-methylphenoxy)-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[3-(2-methylphenoxy)propanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[3-(2-methylphenoxy)propanoyloxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCOC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCOC2=CC=CC=C2C

InChI

InChI=1S/C19H20N2O5S/c1-3-24-19(23)17-14(13(10-20)18(21)27-17)11-26-16(22)8-9-25-15-7-5-4-6-12(15)2/h4-7H,3,8-9,11,21H2,1-2H3