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

Systemtic Name: (phenylmethyl) 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 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-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 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-carboxylic acid benzyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(N3C(C2)CC3=O)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(N3C(C2)CC3=O)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C20H19N3O3S/c1-12-8-13(2)22-20(21-12)27-16-9-15-10-17(24)23(15)18(16)19(25)26-11-14-6-4-3-5-7-14/h3-8,15H,9-11H2,1-2H3