6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxidanylidene-4-(3-oxidanylpropyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxidanylidene-4-(3-oxidanylpropyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-4-(3-hydroxypropyl)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-4-(3-hydroxypropyl)-3-(methylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-4-(3-hydroxypropyl)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-4-(3-hydroxypropyl)-7-keto-3-(methylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H18NO5S- MolecularWeight: 300.35072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2C(C(=C(N2C1=O)C(=O)[O-])SC)CCCO)O

Isomeric SMILES

CC(C1C2C(C(=C(N2C1=O)C(=O)[O-])SC)CCCO)O

InChI

InChI=1S/C13H19NO5S/c1-6(16)8-9-7(4-3-5-15)11(20-2)10(13(18)19)14(9)12(8)17/h6-9,15-16H,3-5H2,1-2H3,(H,18,19)/p-1