3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H12N3O3S- MolecularWeight: 290.31768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(N3C(C2)CC3=O)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(N3C(C2)CC3=O)C(=O)[O-])C

InChI

InChI=1S/C13H13N3O3S/c1-6-3-7(2)15-13(14-6)20-9-4-8-5-10(17)16(8)11(9)12(18)19/h3,8H,4-5H2,1-2H3,(H,18,19)/p-1