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

Systemtic Name: dimethyl 3-[(4-acetamidophenyl)carbonyloxymethyl]-5-azanyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[(4-acetamidobenzoyl)oxymethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 3-[[(4-acetamidophenyl)-oxomethoxy]methyl]-5-aminothiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[(4-acetamidobenzoyl)oxymethyl]-5-aminothiophene-2,4-dicarboxylate Traditional Name: 3-[(4-acetamidobenzoyl)oxymethyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C18H18N2O7S/c1-9(21)20-11-6-4-10(5-7-11)16(22)27-8-12-13(17(23)25-2)15(19)28-14(12)18(24)26-3/h4-7H,8,19H2,1-3H3,(H,20,21)