8-(1-hydroxyethyl)-5-methylsulfanyl-9-oxidanylidene-1-azabicyclo[5.2.0]nona-2,4-diene-2-carboxylate

Systemtic Name: 8-(1-hydroxyethyl)-5-methylsulfanyl-9-oxidanylidene-1-azabicyclo[5.2.0]nona-2,4-diene-2-carboxylate Openeye Name: 8-(1-hydroxyethyl)-5-methylsulfanyl-9-oxo-1-azabicyclo[5.2.0]nona-2,4-diene-2-carboxylate CAS Name: 8-(1-hydroxyethyl)-5-(methylthio)-9-oxo-1-azabicyclo[5.2.0]nona-2,4-diene-2-carboxylate IUPAC Name: 8-(1-hydroxyethyl)-5-methylsulfanyl-9-oxo-1-azabicyclo[5.2.0]nona-2,4-diene-2-carboxylate Traditional Name: 8-(1-hydroxyethyl)-9-keto-5-(methylthio)-1-azabicyclo[5.2.0]nona-2,4-diene-2-carboxylate Formula: C12H14NO4S- MolecularWeight: 268.30886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=CC=C(N2C1=O)C(=O)[O-])SC)O

Isomeric SMILES

CC(C1C2CC(=CC=C(N2C1=O)C(=O)[O-])SC)O

InChI

InChI=1S/C12H15NO4S/c1-6(14)10-9-5-7(18-2)3-4-8(12(16)17)13(9)11(10)15/h3-4,6,9-10,14H,5H2,1-2H3,(H,16,17)/p-1