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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(oxolan-2-ylmethoxy)phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(tetrahydrofuran-2-ylmethoxy)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-[4-(2-oxolanylmethoxy)phenyl]methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(oxolan-2-ylmethoxy)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(tetrahydrofurfuryloxy)benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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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)OCC3CCCO3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=C(C=C2)OCC3CCCO3

InChI

InChI=1S/C21H22N2O6S/c1-2-26-21(25)18-17(16(10-22)19(23)30-18)12-29-20(24)13-5-7-14(8-6-13)28-11-15-4-3-9-27-15/h5-8,15H,2-4,9,11-12,23H2,1H3