dimethyl 5-azanyl-3-[(4-ethanoyl-1H-pyrrol-2-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(4-ethanoyl-1H-pyrrol-2-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[(4-acetyl-1H-pyrrole-2-carbonyl)oxymethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 3-[[(4-acetyl-1H-pyrrol-2-yl)-oxomethoxy]methyl]-5-aminothiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[(4-acetyl-1H-pyrrole-2-carbonyl)oxymethyl]-5-aminothiophene-2,4-dicarboxylate Traditional Name: 3-[(4-acetyl-1H-pyrrole-2-carbonyl)oxymethyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7S/c1-7(19)8-4-10(18-5-8)14(20)25-6-9-11(15(21)23-2)13(17)26-12(9)16(22)24-3/h4-5,18H,6,17H2,1-3H3