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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[3-(4-methoxyphenyl)propanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[3-(4-methoxyphenyl)propanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-(4-methoxyphenyl)-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[3-(4-methoxyphenyl)propanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[3-(4-methoxyphenyl)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)CCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCC2=CC=C(C=C2)OC

InChI

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