ethyl 5-azanyl-4-cyano-3-[(2-methyl-2-phenyl-propanoyl)oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2-methyl-2-phenyl-propanoyl)oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2-methyl-2-phenyl-propanoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(2-methyl-1-oxo-2-phenylpropoxy)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-methyl-2-phenylpropanoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2-methyl-2-phenyl-propanoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-4-24-17(22)15-14(13(10-20)16(21)26-15)11-25-18(23)19(2,3)12-8-6-5-7-9-12/h5-9H,4,11,21H2,1-3H3