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

Systemtic Name: (diphenylmethyl) 3-chloranyl-7-(2-cyanoethanoyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-chloro-7-(2-cyanoacetyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-chloro-7-(2-cyano-1-oxoethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-chloro-7-(2-cyanoacetyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-chloro-7-(2-cyanoacetyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C23H17ClN2O4S MolecularWeight: 452.91008

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)C(=O)CC#N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)C(=O)CC#N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H17ClN2O4S/c24-16-13-31-22-18(17(27)11-12-25)21(28)26(22)19(16)23(29)30-20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,18,20,22H,11,13H2