ethyl 5-azanyl-4-cyano-3-[(3-ethoxy-4-methoxy-phenyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3-ethoxy-4-methoxy-phenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3-ethoxy-4-methoxy-benzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3-ethoxy-4-methoxyphenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-ethoxy-4-methoxybenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(3-ethoxy-4-methoxy-benzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)OC

InChI

InChI=1S/C19H20N2O6S/c1-4-25-15-8-11(6-7-14(15)24-3)18(22)27-10-13-12(9-20)17(21)28-16(13)19(23)26-5-2/h6-8H,4-5,10,21H2,1-3H3