actinium; (diphenylmethyl) 3-(hydroxymethyl)-8-oxidanylidene-7-propan-2-ylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: actinium; (diphenylmethyl) 3-(hydroxymethyl)-8-oxidanylidene-7-propan-2-ylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: actinium; benzhydryl 3-(hydroxymethyl)-7-isopropylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: actinium; 3-(hydroxymethyl)-8-oxo-7-propan-2-ylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: actinium; benzhydryl 3-(hydroxymethyl)-8-oxo-7-propan-2-ylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: actinium; 7-isopropylidene-8-keto-3-methylol-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C24H23AcNO4S MolecularWeight: 648.536467

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C2N(C1=O)C(=C(CS2)CO)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C.[Ac]

Isomeric SMILES

CC(=C1C2N(C1=O)C(=C(CS2)CO)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C.[Ac]

InChI

InChI=1S/C24H23NO4S.Ac/c1-15(2)19-22(27)25-20(18(13-26)14-30-23(19)25)24(28)29-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,21,23,26H,13-14H2,1-2H3;