dimethyl 5-azanyl-3-[[2-(butylamino)phenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[2-(butylamino)phenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-(butylamino)benzoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[2-(butylamino)phenyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-(butylamino)benzoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-(butylamino)benzoyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S/c1-4-5-10-22-14-9-7-6-8-12(14)18(23)28-11-13-15(19(24)26-2)17(21)29-16(13)20(25)27-3/h6-9,22H,4-5,10-11,21H2,1-3H3