6-(1-hydroxyethyl)-4-methyl-3-[(2-methylpyridin-4-yl)methylsulfanyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-3-[(2-methylpyridin-4-yl)methylsulfanyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-4-methyl-3-[(2-methyl-4-pyridyl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-4-methyl-3-[(2-methyl-4-pyridinyl)methylthio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-3-[(2-methylpyridin-4-yl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-[(2-methyl-4-pyridyl)methylthio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C17H19N2O4S- MolecularWeight: 347.40876

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SCC3=CC(=NC=C3)C)C(=O)[O-])C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SCC3=CC(=NC=C3)C)C(=O)[O-])C(C)O

InChI

InChI=1S/C17H20N2O4S/c1-8-6-11(4-5-18-8)7-24-15-9(2)13-12(10(3)20)16(21)19(13)14(15)17(22)23/h4-6,9-10,12-13,20H,7H2,1-3H3,(H,22,23)/p-1