[7-oxidanylidene-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl] 2-methylsulfonyl-3-oxidanylidene-butanoate

Systemtic Name: [7-oxidanylidene-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl] 2-methylsulfonyl-3-oxidanylidene-butanoate Openeye Name: [7-oxo-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl] 2-methylsulfonyl-3-oxo-butanoate CAS Name: 2-methylsulfonyl-3-oxobutanoic acid [7-oxo-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl] ester IUPAC Name: [7-oxo-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl] 2-methylsulfonyl-3-oxobutanoate Traditional Name: 3-keto-2-mesyl-butyric acid [7-keto-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl] ester Formula: C16H16N2O7S2 MolecularWeight: 412.43744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)ON1C2C(C1=O)N=C(S2)COC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)C(C(=O)ON1C2C(C1=O)N=C(S2)COC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C16H16N2O7S2/c1-9(19)13(27(2,22)23)16(21)25-18-14(20)12-15(18)26-11(17-12)8-24-10-6-4-3-5-7-10/h3-7,12-13,15H,8H2,1-2H3