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

Systemtic Name: (diphenylmethyl) 7-azanyl-8-oxidanylidene-3-(2-oxidanylidenepropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-acetonyl-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-(2-oxopropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-8-oxo-3-(2-oxopropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-acetonyl-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)CC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S/c1-14(26)12-17-13-30-22-18(24)21(27)25(22)19(17)23(28)29-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13,24H2,1H3