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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3-ethoxy-4-propoxy-phenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3-ethoxy-4-propoxy-benzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3-ethoxy-4-propoxyphenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-ethoxy-4-propoxybenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(3-ethoxy-4-propoxy-benzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)OCC

InChI

InChI=1S/C21H24N2O6S/c1-4-9-28-16-8-7-13(10-17(16)26-5-2)20(24)29-12-15-14(11-22)19(23)30-18(15)21(25)27-6-3/h7-8,10H,4-6,9,12,23H2,1-3H3