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

Systemtic Name: (diphenylmethyl) 8-oxidanylidene-7-(2-phenylethanoylamino)-3-propylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 8-oxo-7-[(2-phenylacetyl)amino]-3-propylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-(propylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 8-oxo-7-[(2-phenylacetyl)amino]-3-propylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-(propylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C31H30N2O4S2 MolecularWeight: 558.7109

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCSC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N2O4S2/c1-2-18-38-24-20-39-30-26(32-25(34)19-21-12-6-3-7-13-21)29(35)33(30)27(24)31(36)37-28(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,26,28,30H,2,18-20H2,1H3,(H,32,34)