6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(1-pyridin-2-ylpropan-2-ylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(1-pyridin-2-ylpropan-2-ylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-4-methyl-3-[1-methyl-2-(2-pyridyl)ethyl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[1-(2-pyridinyl)propan-2-ylthio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(1-pyridin-2-ylpropan-2-ylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-[[1-methyl-2-(2-pyridyl)ethyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC(C)CC3=CC=CC=N3)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC(C)CC3=CC=CC=N3)C(=O)O)C(C)O

InChI

InChI=1S/C18H22N2O4S/c1-9(8-12-6-4-5-7-19-12)25-16-10(2)14-13(11(3)21)17(22)20(14)15(16)18(23)24/h4-7,9-11,13-14,21H,8H2,1-3H3,(H,23,24)