3-(2-acetamidoethylsulfanyl)-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-acetamidoethylsulfanyl)-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-acetamidoethylthio)-6-(2-hydroxypropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-acetamidoethylsulfanyl)-6-(2-hydroxypropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-acetamidoethylthio)-6-(1-hydroxy-1-methyl-ethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=C(N2C(S1)C(C2=O)C(C)(C)O)C(=O)O

Isomeric SMILES

CC(=O)NCCSC1=C(N2C(S1)C(C2=O)C(C)(C)O)C(=O)O

InChI

InChI=1S/C13H18N2O5S2/c1-6(16)14-4-5-21-12-8(11(18)19)15-9(17)7(10(15)22-12)13(2,3)20/h7,10,20H,4-5H2,1-3H3,(H,14,16)(H,18,19)