(6S)-3-bromanyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: (6S)-3-bromanyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: (6S)-3-bromo-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: (6S)-3-bromo-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: (6S)-3-bromo-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: (6S)-3-bromo-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C16H17BrN2O5S MolecularWeight: 429.28558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)O)NC(=O)COC3=CC=CC=C3)Br

Isomeric SMILES

CC1(CS[C@H]2C(C(=O)N2C1C(=O)O)NC(=O)COC3=CC=CC=C3)Br

InChI

InChI=1S/C16H17BrN2O5S/c1-16(17)8-25-14-11(13(21)19(14)12(16)15(22)23)18-10(20)7-24-9-5-3-2-4-6-9/h2-6,11-12,14H,7-8H2,1H3,(H,18,20)(H,22,23)/t11?,12?,14-,16?/m0/s1