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

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-(2-pyridin-1-ium-1-ylpropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-(2-pyridin-1-ium-1-ylpropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[2-(1-pyridin-1-iumyl)propylthio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-(2-pyridin-1-ium-1-ylpropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(2-pyridin-1-ium-1-ylpropylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CC(CSC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C16H18N2O4S2/c1-9(17-6-4-3-5-7-17)8-23-16-12(15(21)22)18-13(20)11(10(2)19)14(18)24-16/h3-7,9-11,14,19H,8H2,1-2H3