(phenylmethyl) 3-(1-acetamidoethenylsulfanyl)-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(1-acetamidoethenylsulfanyl)-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 3-(1-acetamidovinylsulfanyl)-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(1-acetamidoethenylthio)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1-acetamidoethenylsulfanyl)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(1-acetamidovinylthio)-6-(1-hydroxy-1-methyl-ethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=C)SC1=C(N2C(C1)C(C2=O)C(C)(C)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(=C)SC1=C(N2C(C1)C(C2=O)C(C)(C)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-12(24)22-13(2)29-16-10-15-17(21(3,4)27)19(25)23(15)18(16)20(26)28-11-14-8-6-5-7-9-14/h5-9,15,17,27H,2,10-11H2,1,3-4H3,(H,22,24)