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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3,4,5-triethoxyphenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3,4,5-triethoxybenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-(3,4,5-triethoxyphenyl)methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3,4,5-triethoxybenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(3,4,5-triethoxybenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C22H26N2O7S/c1-5-27-16-9-13(10-17(28-6-2)18(16)29-7-3)21(25)31-12-15-14(11-23)20(24)32-19(15)22(26)30-8-4/h9-10H,5-8,12,24H2,1-4H3