ethyl 5-azanyl-4-cyano-3-[(3,4-diethoxyphenyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3,4-diethoxyphenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3,4-diethoxybenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3,4-diethoxyphenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3,4-diethoxybenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(3,4-diethoxybenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-4-25-15-8-7-12(9-16(15)26-5-2)19(23)28-11-14-13(10-21)18(22)29-17(14)20(24)27-6-3/h7-9H,4-6,11,22H2,1-3H3