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

Systemtic Name: (diphenylmethyl) 7-benzamido-3-(chloromethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-benzamido-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-benzamido-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-benzamido-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-benzamido-3-(chloromethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C28H23ClN2O4S MolecularWeight: 519.01122

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)CCl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)CCl

InChI

InChI=1S/C28H23ClN2O4S/c29-16-21-17-36-27-22(30-25(32)20-14-8-3-9-15-20)26(33)31(27)23(21)28(34)35-24(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,22,24,27H,16-17H2,(H,30,32)