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

Systemtic Name: diethyl 3-[(3-acetamidophenyl)carbonyloxymethyl]-5-azanyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-[(3-acetamidobenzoyl)oxymethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 3-[[(3-acetamidophenyl)-oxomethoxy]methyl]-5-aminothiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-[(3-acetamidobenzoyl)oxymethyl]-5-aminothiophene-2,4-dicarboxylate Traditional Name: 3-[(3-acetamidobenzoyl)oxymethyl]-5-amino-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-4-27-19(25)15-14(16(30-17(15)21)20(26)28-5-2)10-29-18(24)12-7-6-8-13(9-12)22-11(3)23/h6-9H,4-5,10,21H2,1-3H3,(H,22,23)