diethyl 5-azanyl-3-[(3,5-dimethylphenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(3,5-dimethylphenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(3,5-dimethylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(3,5-dimethylphenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(3,5-dimethylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(3,5-dimethylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC(=CC(=C2)C)C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC(=CC(=C2)C)C)C(=O)OCC)N

InChI

InChI=1S/C20H23NO6S/c1-5-25-19(23)15-14(16(28-17(15)21)20(24)26-6-2)10-27-18(22)13-8-11(3)7-12(4)9-13/h7-9H,5-6,10,21H2,1-4H3