3-azanylpropan-1-ol; O2-tert-butyl O5-ethyl thiophene-2,5-dicarboxylate

Systemtic Name: 3-azanylpropan-1-ol; O2-tert-butyl O5-ethyl thiophene-2,5-dicarboxylate Openeye Name: 3-aminopropan-1-ol; O2-tert-butyl O5-ethyl thiophene-2,5-dicarboxylate CAS Name: 3-amino-1-propanol; thiophene-2,5-dicarboxylic acid O2-tert-butyl ester O5-ethyl ester IUPAC Name: 3-aminopropan-1-ol; 2-O-tert-butyl 5-O-ethyl thiophene-2,5-dicarboxylate Traditional Name: 3-aminopropan-1-ol; thiophene-2,5-dicarboxylic acid O2-tert-butyl ester O5-ethyl ester Formula: C15H25NO5S MolecularWeight: 331.4277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S.C3H9NO/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;5H,1-4H2