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

Systemtic Name: 3-(2-azanylethylsulfanyl)-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-aminoethylsulfanyl)-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-aminoethylthio)-6-(2-hydroxypropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-aminoethylsulfanyl)-6-(2-hydroxypropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-aminoethylthio)-6-(1-hydroxy-1-methyl-ethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C11H16N2O4S2 MolecularWeight: 304.38574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O4S2/c1-11(2,17)5-7(14)13-6(9(15)16)10(18-4-3-12)19-8(5)13/h5,8,17H,3-4,12H2,1-2H3,(H,15,16)