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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-5-27-21(25)18-15(14(9-22)19(23)30-18)11-29-20(24)13-6-7-16(17(8-13)26-4)28-10-12(2)3/h6-8,12H,5,10-11,23H2,1-4H3