6-(1-hydroxyethyl)-7-oxidanylidene-3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-3-[(E)-3-hydroxy-3-oxo-prop-1-enyl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-3-[[(E)-3-hydroxy-3-oxoprop-1-enyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-3-[(E)-3-hydroxy-3-oxoprop-1-enyl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-3-[[(E)-3-hydroxy-3-keto-prop-1-enyl]thio]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C12H12NO6S- MolecularWeight: 298.29178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])S/C=C/C(=O)O)O

InChI

InChI=1S/C12H13NO6S/c1-5(14)9-6-4-7(20-3-2-8(15)16)10(12(18)19)13(6)11(9)17/h2-3,5-6,9,14H,4H2,1H3,(H,15,16)(H,18,19)/p-1/b3-2+