ethyl 5-azanyl-4-cyano-3-[(4-propan-2-ylphenyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-propan-2-ylphenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-isopropylbenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-(4-propan-2-ylphenyl)methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-propan-2-ylbenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-3-(cumoyloxymethyl)-4-cyano-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)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

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

InChI

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