ethyl 5-azanyl-4-cyano-3-[2-(3,4-dimethoxyphenyl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(3,4-dimethoxyphenyl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(3,4-dimethoxyphenyl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(3,4-dimethoxyphenyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(3,4-dimethoxyphenyl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(homoveratroyloxymethyl)thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H20N2O6S/c1-4-26-19(23)17-13(12(9-20)18(21)28-17)10-27-16(22)8-11-5-6-14(24-2)15(7-11)25-3/h5-7H,4,8,10,21H2,1-3H3