diethyl 5-azanyl-3-(1,3-benzodioxol-5-ylcarbonyloxymethyl)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-(1,3-benzodioxol-5-ylcarbonyloxymethyl)thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-(1,3-benzodioxole-5-carbonyloxymethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1,3-benzodioxol-5-yl(oxo)methoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-(1,3-benzodioxole-5-carbonyloxymethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-(piperonyloyloxymethyl)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H19NO8S MolecularWeight: 421.42106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OCC)N

InChI

InChI=1S/C19H19NO8S/c1-3-24-18(22)14-11(15(29-16(14)20)19(23)25-4-2)8-26-17(21)10-5-6-12-13(7-10)28-9-27-12/h5-7H,3-4,8-9,20H2,1-2H3