3-azanylpropanal; O2-tert-butyl O5-ethyl thiophene-2,5-dicarboxylate

Systemtic Name: 3-azanylpropanal; O2-tert-butyl O5-ethyl thiophene-2,5-dicarboxylate Openeye Name: 3-aminopropanal; O2-tert-butyl O5-ethyl thiophene-2,5-dicarboxylate CAS Name: 3-aminopropanal; thiophene-2,5-dicarboxylic acid O2-tert-butyl ester O5-ethyl ester IUPAC Name: 3-aminopropanal; 2-O-tert-butyl 5-O-ethyl thiophene-2,5-dicarboxylate Traditional Name: 3-aminopropionaldehyde; thiophene-2,5-dicarboxylic acid O2-tert-butyl ester O5-ethyl ester Formula: C15H23NO5S MolecularWeight: 329.41182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)C(=O)OC(C)(C)C.C(CN)C=O

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)C(=O)OC(C)(C)C.C(CN)C=O

InChI

InChI=1S/C12H16O4S.C3H7NO/c1-5-15-10(13)8-6-7-9(17-8)11(14)16-12(2,3)4;4-2-1-3-5/h6-7H,5H2,1-4H3;3H,1-2,4H2