(phenylmethyl) 3-chloranyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (phenylmethyl) 3-chloranyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: benzyl 3-chloro-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-chloro-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-chloro-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-chloro-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid benzyl ester Formula: C23H23ClN2O5S MolecularWeight: 474.95712

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=CC=C3)NC(=O)COC4=CC=CC=C4)Cl

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=CC=C3)NC(=O)COC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H23ClN2O5S/c1-23(24)14-32-21-18(25-17(27)13-30-16-10-6-3-7-11-16)20(28)26(21)19(23)22(29)31-12-15-8-4-2-5-9-15/h2-11,18-19,21H,12-14H2,1H3,(H,25,27)