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

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(2-pyrimidin-4-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(2-pyrimidin-4-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[2-(4-pyrimidinyl)ethylthio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(2-pyrimidin-4-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-[2-(4-pyrimidyl)ethylthio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SCCC3=NC=NC=C3)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SCCC3=NC=NC=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)24-6-4-10-3-5-17-7-18-10/h3,5,7-9,11-12,20H,4,6H2,1-2H3,(H,22,23)