hexadecyl 7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: hexadecyl 7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: hexadecyl 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hexadecyl ester IUPAC Name: hexadecyl 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid cetyl ester Formula: C22H37NO3S MolecularWeight: 395.59908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CSC2N1C(=O)C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CSC2N1C(=O)C2

InChI

InChI=1S/C22H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-22(25)19-18-27-21-17-20(24)23(19)21/h18,21H,2-17H2,1H3