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

Systemtic Name: (diphenylmethyl) 7-acetamido-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-acetamido-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-acetamido-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-acetamido-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-acetamido-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(=C(CS2)Cl)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(=C(CS2)Cl)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19ClN2O4S/c1-13(26)24-17-20(27)25-18(16(23)12-30-21(17)25)22(28)29-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17,19,21H,12H2,1H3,(H,24,26)