3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-6-(hydroxymethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-6-(hydroxymethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-amino-1-methyl-2-oxo-ethyl)sulfanyl-6-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[(1-amino-1-oxopropan-2-yl)thio]-6-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-amino-1-oxopropan-2-yl)sulfanyl-6-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(2-amino-2-keto-1-methyl-ethyl)thio]-7-keto-6-methylol-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C10H12N2O5S2 MolecularWeight: 304.34268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=C(N2C(S1)C(C2=O)CO)C(=O)O

Isomeric SMILES

CC(C(=O)N)SC1=C(N2C(S1)C(C2=O)CO)C(=O)O

InChI

InChI=1S/C10H12N2O5S2/c1-3(6(11)14)18-10-5(9(16)17)12-7(15)4(2-13)8(12)19-10/h3-4,8,13H,2H2,1H3,(H2,11,14)(H,16,17)