3-(4-methylpyrimidin-2-yl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-(4-methylpyrimidin-2-yl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-(4-methylpyrimidin-2-yl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(4-methyl-2-pyrimidinyl)thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-(4-methylpyrimidin-2-yl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-[(4-methylpyrimidin-2-yl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C12H10N3O3S- MolecularWeight: 276.2911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=C(N3C(C2)CC3=O)C(=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)SC2=C(N3C(C2)CC3=O)C(=O)[O-]

InChI

InChI=1S/C12H11N3O3S/c1-6-2-3-13-12(14-6)19-8-4-7-5-9(16)15(7)10(8)11(17)18/h2-3,7H,4-5H2,1H3,(H,17,18)/p-1