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

Systemtic Name: 3-(2-azanylethylsulfanylmethyl)-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-aminoethylsulfanylmethyl)-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[(2-aminoethylthio)methyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-aminoethylsulfanylmethyl)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(2-aminoethylthio)methyl]-6-(1-hydroxy-1-methyl-ethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C2CC(=C(N2C1=O)C(=O)O)CSCCN)O

Isomeric SMILES

CC(C)(C1C2CC(=C(N2C1=O)C(=O)O)CSCCN)O

InChI

InChI=1S/C13H20N2O4S/c1-13(2,19)9-8-5-7(6-20-4-3-14)10(12(17)18)15(8)11(9)16/h8-9,19H,3-6,14H2,1-2H3,(H,17,18)