ethyl 5-azanyl-4-cyano-3-(3,3-dimethylbutanoyloxymethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(3,3-dimethylbutanoyloxymethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(3,3-dimethylbutanoyloxymethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(3,3-dimethyl-1-oxobutoxy)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(3,3-dimethylbutanoyloxymethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(3,3-dimethylbutanoyloxymethyl)thiophene-2-carboxylic acid ethyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-5-20-14(19)12-10(9(7-16)13(17)22-12)8-21-11(18)6-15(2,3)4/h5-6,8,17H2,1-4H3