6-(1-hydroxyethyl)-7-oxidanylidene-3-(3-sulfamoylpropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-(3-sulfamoylpropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-(3-sulfamoylpropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(3-sulfamoylpropylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-(3-sulfamoylpropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(3-sulfamoylpropylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C11H16N2O6S3 MolecularWeight: 368.44954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCCCS(=O)(=O)N)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCCCS(=O)(=O)N)C(=O)O)O

InChI

InChI=1S/C11H16N2O6S3/c1-5(14)6-8(15)13-7(10(16)17)11(21-9(6)13)20-3-2-4-22(12,18)19/h5-6,9,14H,2-4H2,1H3,(H,16,17)(H2,12,18,19)