6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(2-pyridazin-3-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(2-pyridazin-3-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(2-pyridazin-3-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[2-(3-pyridazinyl)ethylthio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(2-pyridazin-3-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-(2-pyridazin-3-ylethylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H18N3O4S- MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SCCC3=NN=CC=C3)C(=O)[O-])C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SCCC3=NN=CC=C3)C(=O)[O-])C(C)O

InChI

InChI=1S/C16H19N3O4S/c1-8-12-11(9(2)20)15(21)19(12)13(16(22)23)14(8)24-7-5-10-4-3-6-17-18-10/h3-4,6,8-9,11-12,20H,5,7H2,1-2H3,(H,22,23)/p-1