(phenylmethyl) 3-ethenylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-ethenylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 7-oxo-3-vinylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(ethenylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-ethenylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(vinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C=CSC1=C(N2C(C1)CC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C=CSC1=C(N2C(C1)CC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H15NO3S/c1-2-21-13-8-12-9-14(18)17(12)15(13)16(19)20-10-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2