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

Systemtic Name: (diphenylmethyl) 7-azanyl-8-oxidanylidene-3-(thiophen-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-8-oxo-3-(2-thienylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-(thiophen-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-8-oxo-3-(thiophen-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-(2-thenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C25H22N2O3S2 MolecularWeight: 462.58378

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C25H22N2O3S2/c26-20-23(28)27-21(18(15-32-24(20)27)14-19-12-7-13-31-19)25(29)30-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,20,22,24H,14-15,26H2