efdinir Isoxazole Analog (USP)
Technical Data
Cat. No.ANTPRD11079
CAS—
Mol. FormulaC13H11N3O6S
Mol. Weight337.313 g/mol
IUPAC(6R,7R)-3-ethenyl-8-oxo-7-[(4-oxo-1,2-oxazole-3-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILESC=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C3=NOCC3=O)[C@H]2SC1
InChIInChI=1S/C13H11N3O6S/c1-2-5-4-23-12-8(11(19)16(12)9(5)13(20)21)14-10(18)7-6(17)3-22-15-7/h2,8,12H,1,3-4H2,(H,14,18)(H,20,21)/t8-,12-/m1/s1
InChI KeyOPMWCXNZKPTYIP-PRHODGIISA-N
Description
Overview
efdinir Isoxazole Analog (USP), (6R,7R)-3-ethenyl-8-oxo-7-[(4-oxo-1,2-oxazole-3-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Synonyms
(6R,7R)-8-Oxo-7-(4-oxo-4,5-dihydroisoxazole-3-carboxamido)-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid