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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[3-(3-methylphenoxy)propanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[3-(3-methylphenoxy)propanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-(3-methylphenoxy)-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[3-(3-methylphenoxy)propanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[3-(3-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(=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCOC2=CC=CC(=C2)C

InChI

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