tert-butyl 7-[2-(4-fluorophenyl)ethanoylamino]-3-methyl-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: tert-butyl 7-[2-(4-fluorophenyl)ethanoylamino]-3-methyl-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: tert-butyl 7-[[2-(4-fluorophenyl)acetyl]amino]-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 7-[[2-(4-fluorophenyl)-1-oxoethyl]amino]-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-(4-fluorophenyl)acetyl]amino]-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 7-[[2-(4-fluorophenyl)acetyl]amino]-3-hydroxy-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid tert-butyl ester Formula: C20H25FN2O5S MolecularWeight: 424.486303

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OC(C)(C)C)NC(=O)CC3=CC=C(C=C3)F)O

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)OC(C)(C)C)NC(=O)CC3=CC=C(C=C3)F)O

InChI

InChI=1S/C20H25FN2O5S/c1-19(2,3)28-18(26)15-20(4,27)10-29-17-14(16(25)23(15)17)22-13(24)9-11-5-7-12(21)8-6-11/h5-8,14-15,17,27H,9-10H2,1-4H3,(H,22,24)