6-(1-hydroxyethyl)-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-3-[(1-methyl-2-pyridin-1-iumyl)methylthio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[(1-methylpyridin-1-ium-2-yl)methylthio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SCC3=CC=CC=[N+]3C)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SCC3=CC=CC=[N+]3C)O

InChI

InChI=1S/C16H18N2O4S/c1-9(19)13-11-7-12(14(16(21)22)18(11)15(13)20)23-8-10-5-3-4-6-17(10)2/h3-6,9,11,13,19H,7-8H2,1-2H3