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

Systemtic Name: ethyl 5-azanyl-3-[(4-butylphenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(4-butylbenzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(4-butylphenyl)-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-butylbenzoyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(4-butylbenzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C20H22N2O4S/c1-3-5-6-13-7-9-14(10-8-13)19(23)26-12-16-15(11-21)18(22)27-17(16)20(24)25-4-2/h7-10H,3-6,12,22H2,1-2H3