(phenylmethyl) 7-oxidanylidene-6-(3-oxidanyl-3-phenyl-propyl)-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 7-oxidanylidene-6-(3-oxidanyl-3-phenyl-propyl)-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 6-(3-hydroxy-3-phenyl-propyl)-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(3-hydroxy-3-phenylpropyl)-7-oxo-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(3-hydroxy-3-phenylpropyl)-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(3-hydroxy-3-phenyl-propyl)-7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C29H27NO4S MolecularWeight: 485.59398

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C1SC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)CCC(C5=CC=CC=C5)O

Isomeric SMILES

C1C2C(C(=O)N2C(=C1SC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)CCC(C5=CC=CC=C5)O

InChI

InChI=1S/C29H27NO4S/c31-25(21-12-6-2-7-13-21)17-16-23-24-18-26(35-22-14-8-3-9-15-22)27(30(24)28(23)32)29(33)34-19-20-10-4-1-5-11-20/h1-15,23-25,31H,16-19H2