(diphenylmethyl) 3-(acetyloxymethyl)-7-isocyano-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-(acetyloxymethyl)-7-isocyano-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-(acetoxymethyl)-7-isocyano-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-isocyano-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-(acetyloxymethyl)-7-isocyano-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-isocyano-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)[N+]#[C-])SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)[N+]#[C-])SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O5S/c1-15(27)30-13-18-14-32-23-19(25-2)22(28)26(23)20(18)24(29)31-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19,21,23H,13-14H2,1H3