6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(1-oxidanyl-3-pyridin-2-yl-propan-2-yl)sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(1-oxidanyl-3-pyridin-2-yl-propan-2-yl)sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-3-[1-(hydroxymethyl)-2-(2-pyridyl)ethyl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-3-[[1-hydroxy-3-(2-pyridinyl)propan-2-yl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-3-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-[[1-methylol-2-(2-pyridyl)ethyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C18H21N2O5S- MolecularWeight: 377.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC(CC3=CC=CC=N3)CO)C(=O)[O-])C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC(CC3=CC=CC=N3)CO)C(=O)[O-])C(C)O

InChI

InChI=1S/C18H22N2O5S/c1-9-14-13(10(2)22)17(23)20(14)15(18(24)25)16(9)26-12(8-21)7-11-5-3-4-6-19-11/h3-6,9-10,12-14,21-22H,7-8H2,1-2H3,(H,24,25)/p-1