6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(1-pyridazin-3-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-pyridazin-3-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-pyridazin-3-yl-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-(3-pyridazinyl)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-pyridazin-3-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-pyridazin-3-yl-ethyl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC(C)CC3=NN=CC=C3)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC(C)CC3=NN=CC=C3)C(=O)O)C(C)O

InChI

InChI=1S/C17H21N3O4S/c1-8(7-11-5-4-6-18-19-11)25-15-9(2)13-12(10(3)21)16(22)20(13)14(15)17(23)24/h4-6,8-10,12-13,21H,7H2,1-3H3,(H,23,24)