(phenylmethyl) (2S,5S)-3-methylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,5S)-3-methylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate Openeye Name: benzyl (2S,5S)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate CAS Name: (2S,5S)-3-(methylthio)-7-oxo-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,5S)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate Traditional Name: (2S,5S)-7-keto-3-(methylthio)-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylic acid benzyl ester Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=C[C@@H]2CC(=O)N2[C@H]1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C15H15NO3S/c1-20-12-7-11-8-13(17)16(11)14(12)15(18)19-9-10-5-3-2-4-6-10/h2-7,11,14H,8-9H2,1H3/t11-,14-/m1/s1