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

Systemtic Name: (diphenylmethyl) (7S)-3-(acetyloxymethyl)-7-iodanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (7S)-3-(acetoxymethyl)-7-iodo-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (7S)-3-(acetyloxymethyl)-7-iodo-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (7S)-3-(acetyloxymethyl)-7-iodo-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (7S)-3-(acetoxymethyl)-7-iodo-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C23H20INO5S MolecularWeight: 549.37807

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)I)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OCC1=C(N2C([C@H](C2=O)I)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H20INO5S/c1-14(26)29-12-17-13-31-22-18(24)21(27)25(22)19(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13H2,1H3/t18-,22?/m0/s1