6-(1-hydroxyethyl)-7-oxidanylidene-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[(E)-3-(1-pyridin-1-iumyl)prop-1-enyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)C=CC[N+]3=CC=CC=C3)C(=O)[O-])O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)/C=C/C[N+]3=CC=CC=C3)C(=O)[O-])O

InChI

InChI=1S/C16H16N2O4S/c1-10(19)12-14(20)18-13(16(21)22)11(23-15(12)18)6-5-9-17-7-3-2-4-8-17/h2-8,10,12,15,19H,9H2,1H3/b6-5+