[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl] 4-(hexadecylamino)thiophene-2-carboxylate

Systemtic Name: [(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl] 4-(hexadecylamino)thiophene-2-carboxylate Openeye Name: [(E)-3-ethoxy-3-oxo-prop-1-enyl] 4-(hexadecylamino)thiophene-2-carboxylate CAS Name: 4-(hexadecylamino)-2-thiophenecarboxylic acid [(E)-3-ethoxy-3-oxoprop-1-enyl] ester IUPAC Name: [(E)-3-ethoxy-3-oxoprop-1-enyl] 4-(hexadecylamino)thiophene-2-carboxylate Traditional Name: 4-(cetylamino)thiophene-2-carboxylic acid [(E)-3-ethoxy-3-keto-prop-1-enyl] ester Formula: C26H43NO4S MolecularWeight: 465.68892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CSC(=C1)C(=O)OC=CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CSC(=C1)C(=O)O/C=C/C(=O)OCC

InChI

InChI=1S/C26H43NO4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27-23-21-24(32-22-23)26(29)31-20-18-25(28)30-4-2/h18,20-22,27H,3-17,19H2,1-2H3/b20-18+