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

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-(2-acetamidoethylsulfanyl)-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(2-acetamidoethylthio)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-(2-acetamidoethylsulfanyl)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(2-acetamidoethylthio)-6-(1-hydroxy-1-methyl-ethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C14H19N2O5S- MolecularWeight: 327.37606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=C(N2C(C1)C(C2=O)C(C)(C)O)C(=O)[O-]

Isomeric SMILES

CC(=O)NCCSC1=C(N2C(C1)C(C2=O)C(C)(C)O)C(=O)[O-]

InChI

InChI=1S/C14H20N2O5S/c1-7(17)15-4-5-22-9-6-8-10(14(2,3)21)12(18)16(8)11(9)13(19)20/h8,10,21H,4-6H2,1-3H3,(H,15,17)(H,19,20)/p-1