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

Systemtic Name: 7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-3-pyrrolidin-3-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxy-1-methyl-ethyl)-7-oxo-3-pyrrolidin-3-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(2-hydroxypropan-2-yl)-7-oxo-3-(3-pyrrolidinylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(2-hydroxypropan-2-yl)-7-oxo-3-pyrrolidin-3-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxy-1-methyl-ethyl)-7-keto-3-(pyrrolidin-3-ylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C2N(C1=O)C(=C(S2)SC3CCNC3)C(=O)O)O

Isomeric SMILES

CC(C)(C1C2N(C1=O)C(=C(S2)SC3CCNC3)C(=O)O)O

InChI

InChI=1S/C13H18N2O4S2/c1-13(2,19)7-9(16)15-8(11(17)18)12(21-10(7)15)20-6-3-4-14-5-6/h6-7,10,14,19H,3-5H2,1-2H3,(H,17,18)