(phenylmethyl) 6-methylsulfanyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 6-methylsulfanyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-methylsulfanyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(methylthio)-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methylsulfanyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-6-(methylthio)-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(C2N(C1=O)C(CS2)C(=O)OCC3=CC=CC=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CSC1(C2N(C1=O)C(CS2)C(=O)OCC3=CC=CC=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O5S2/c1-30-22(23-18(25)13-28-16-10-6-3-7-11-16)20(27)24-17(14-31-21(22)24)19(26)29-12-15-8-4-2-5-9-15/h2-11,17,21H,12-14H2,1H3,(H,23,25)