6-(2,3-dihydro-1H-indolizin-4-ium-1-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(2,3-dihydro-1H-indolizin-4-ium-1-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(2,3-dihydro-1H-indolizin-4-ium-1-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(2,3-dihydro-1H-indolizin-4-ium-1-ylthio)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(2,3-dihydro-1H-indolizin-4-ium-1-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(2,3-dihydro-1H-indolizin-4-ium-1-ylthio)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H16N2O4S2 MolecularWeight: 364.43924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C2N(C1=O)C(=CS2)C(=O)[O-])SC3CC[N+]4=CC=CC=C34)O

Isomeric SMILES

CC(C1(C2N(C1=O)C(=CS2)C(=O)[O-])SC3CC[N+]4=CC=CC=C34)O

InChI

InChI=1S/C16H16N2O4S2/c1-9(19)16(14(22)18-11(13(20)21)8-23-15(16)18)24-12-5-7-17-6-3-2-4-10(12)17/h2-4,6,8-9,12,15,19H,5,7H2,1H3