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

Systemtic Name: ethyl 5-azanyl-3-[[2-(butylamino)phenyl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-(butylamino)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[2-(butylamino)phenyl]-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-(butylamino)benzoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-(butylamino)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C20H23N3O4S/c1-3-5-10-23-16-9-7-6-8-13(16)19(24)27-12-15-14(11-21)18(22)28-17(15)20(25)26-4-2/h6-9,23H,3-5,10,12,22H2,1-2H3